3-oxoundec-10-enoic acid

C11H18O3 — CID 126707830

IUPAC3-oxoundec-10-enoic acid
SMILESC=CCCCCCCC(=O)CC(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2H,1,3-9H2,(H,13,14)
InChIKeyCOJJRNZYCLIBPN-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.56
Rot. Bonds9

About 3-oxoundec-10-enoic acid

3-oxoundec-10-enoic acid (PubChem CID 126707830) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-oxoundec-10-enoic acid.

Molecular Properties

Compound Name3-oxoundec-10-enoic acid
PubChem CID126707830
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-oxoundec-10-enoic acid
SMILESC=CCCCCCCC(=O)CC(=O)O
InChIInChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2H,1,3-9H2,(H,13,14)
InChIKeyCOJJRNZYCLIBPN-UHFFFAOYSA-N
XLogP2.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-oxoundec-10-enoic acid 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

tricosa-1,22-dien-12-one
CID 86210796
tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
3,16-dioxooctadecanedioic acid
CID 22644280
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
pentadec-14-en-7-one
CID 11528685
hexadec-15-en-5-one
CID 91482743
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
pentacos-1-en-11-one
CID 21420755
tricos-1-en-11-one
CID 146680996

Frequently Asked Questions

What is the IUPAC name of 3-oxoundec-10-enoic acid?
The IUPAC name of 3-oxoundec-10-enoic acid (CID 126707830) is 3-oxoundec-10-enoic acid.
What is the SMILES notation for 3-oxoundec-10-enoic acid?
The canonical SMILES for 3-oxoundec-10-enoic acid is C=CCCCCCCC(=O)CC(=O)O.
What is the InChIKey of 3-oxoundec-10-enoic acid?
The InChIKey is COJJRNZYCLIBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2H,1,3-9H2,(H,13,14).
What are the key properties of 3-oxoundec-10-enoic acid?
3-oxoundec-10-enoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxoundec-10-enoic acid is sourced from PubChem (CID 126707830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).