1-hydroxydeca-1,3-dien-5-one

C10H16O2 — CID 175523501

IUPAC1-hydroxydeca-1,3-dien-5-one
SMILESCCCCCC(=O)C=CC=CO
InChIInChI=1S/C10H16O2/c1-2-3-4-7-10(12)8-5-6-9-11/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyOQRPEHLWYXEWIG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.76
Rot. Bonds6

About 1-hydroxydeca-1,3-dien-5-one

1-hydroxydeca-1,3-dien-5-one (PubChem CID 175523501) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-hydroxydeca-1,3-dien-5-one.

Molecular Properties

Compound Name1-hydroxydeca-1,3-dien-5-one
PubChem CID175523501
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-hydroxydeca-1,3-dien-5-one
SMILESCCCCCC(=O)C=CC=CO
InChIInChI=1S/C10H16O2/c1-2-3-4-7-10(12)8-5-6-9-11/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyOQRPEHLWYXEWIG-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-hydroxydeca-1,3-dien-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
dodeca-2,4-dien-6-one
CID 71412707
octadeca-2,4,6-trien-8-one
CID 154172928
(7E,9E)-tetradeca-7,9-dien-6-one
CID 102586643
(2E,4E)-6-oxoundeca-2,4-dienenitrile
CID 11062951
(E)-1-bromooct-1-en-3-one
CID 11790338
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(E)-tridec-3-ene-2,5-dione
CID 12564114
(E)-1-bromonon-1-en-3-one
CID 10987757
(E)-1-chloronon-1-en-3-one
CID 12585287

Frequently Asked Questions

What is the IUPAC name of 1-hydroxydeca-1,3-dien-5-one?
The IUPAC name of 1-hydroxydeca-1,3-dien-5-one (CID 175523501) is 1-hydroxydeca-1,3-dien-5-one.
What is the SMILES notation for 1-hydroxydeca-1,3-dien-5-one?
The canonical SMILES for 1-hydroxydeca-1,3-dien-5-one is CCCCCC(=O)C=CC=CO.
What is the InChIKey of 1-hydroxydeca-1,3-dien-5-one?
The InChIKey is OQRPEHLWYXEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-7-10(12)8-5-6-9-11/h5-6,8-9,11H,2-4,7H2,1H3.
What are the key properties of 1-hydroxydeca-1,3-dien-5-one?
1-hydroxydeca-1,3-dien-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxydeca-1,3-dien-5-one is sourced from PubChem (CID 175523501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).