Research chemical
CAS Number: 101493-87-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
13619446
Exact Mass
232.182715
InChIKey
YRZAXHOEVLZSGV-UHFFFAOYSA-N
SMILES String
CCCCCCCC(=O)c1cc(C)ccc1C
No physical property values available.
XLogP
5.3
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1-(2,5-Dimethylphenyl)octan-1-one is identified by CAS 101493-87-2, with molecular formula C16H24O, molecular weight 232.36, InChIKey YRZAXHOEVLZSGV-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
17
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
7
Ring count
1
Aromatic rings
1
Topological polar surface area
17.07 Ų
Computed LogP
4.85
Fragment-like structure rule
Yes
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
1-(2,5-Dimethylphenyl)octan-1-one (CAS 101493-87-2) is an English MolGraph catalog reference, molecular formula C16H24O and molecular weight 232. 36 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.
Documentation needs
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Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.