12-hydroxytridec-1-en-3-one

C13H24O2 — CID 134987224

IUPAC12-hydroxytridec-1-en-3-one
SMILESC=CC(=O)CCCCCCCCC(C)O
InChIInChI=1S/C13H24O2/c1-3-13(15)11-9-7-5-4-6-8-10-12(2)14/h3,12,14H,1,4-11H2,2H3
InChIKeyKUPXMTCVTZSWOM-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.24
Rot. Bonds10

About 12-hydroxytridec-1-en-3-one

12-hydroxytridec-1-en-3-one (PubChem CID 134987224) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 12-hydroxytridec-1-en-3-one.

Molecular Properties

Compound Name12-hydroxytridec-1-en-3-one
PubChem CID134987224
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name12-hydroxytridec-1-en-3-one
SMILESC=CC(=O)CCCCCCCCC(C)O
InChIInChI=1S/C13H24O2/c1-3-13(15)11-9-7-5-4-6-8-10-12(2)14/h3,12,14H,1,4-11H2,2H3
InChIKeyKUPXMTCVTZSWOM-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 12-hydroxytridec-1-en-3-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

(Z)-1-hydroxyhexadec-10-en-7-one
CID 13964640
(5S)-5-hydroxyhexacos-1-en-3-one
CID 162843320
(37S)-37-hydroxyhexatetracont-1-en-15-one
CID 163006727
7-Hydroxyoct-1-en-3-one
CID 21501158
5-Hydroxyhexacos-1-en-3-one
CID 10430764
7-Oxo-11-dodecen-3-ol
CID 14752697
3-Hydroxynonenal
CID 20362364
7-Hydroxy-1-nonen-3-one
CID 20362369
8-Hydroxy-6-methyloct-1-en-3-one
CID 135079544
Disparalone
CID 6161032
11-Hydroxyicosa-1,19-dien-10-one
CID 10946786
37-Hydroxyhexatetracont-1-en-15-one
CID 15714517

Frequently Asked Questions

What is the IUPAC name of 12-hydroxytridec-1-en-3-one?
The IUPAC name of 12-hydroxytridec-1-en-3-one (CID 134987224) is 12-hydroxytridec-1-en-3-one.
What is the SMILES notation for 12-hydroxytridec-1-en-3-one?
The canonical SMILES for 12-hydroxytridec-1-en-3-one is C=CC(=O)CCCCCCCCC(C)O.
What is the InChIKey of 12-hydroxytridec-1-en-3-one?
The InChIKey is KUPXMTCVTZSWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-13(15)11-9-7-5-4-6-8-10-12(2)14/h3,12,14H,1,4-11H2,2H3.
What are the key properties of 12-hydroxytridec-1-en-3-one?
12-hydroxytridec-1-en-3-one has a molecular weight of 212.33 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxytridec-1-en-3-one is sourced from PubChem (CID 134987224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).