3-hydroxydec-9-enoic acid

C10H18O3 — CID 19010677

IUPAC3-hydroxydec-9-enoic acid
SMILESC=CCCCCCC(O)CC(=O)O
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyANJVCBASFCUSLC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds8

About 3-hydroxydec-9-enoic acid

3-hydroxydec-9-enoic acid (PubChem CID 19010677) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-hydroxydec-9-enoic acid.

Molecular Properties

Compound Name3-hydroxydec-9-enoic acid
PubChem CID19010677
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-hydroxydec-9-enoic acid
SMILESC=CCCCCCC(O)CC(=O)O
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyANJVCBASFCUSLC-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxydec-9-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

3-hydroxyhenicosa-12,20-dienoic acid
CID 139805434
dec-9-enoic acid;3-hydroxydec-9-enoic acid
CID 159851284
4-hydroxydodec-11-enoic acid
CID 139805445
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
(5R)-5-hydroxydec-9-enoic acid
CID 97184595
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781

Frequently Asked Questions

What is the IUPAC name of 3-hydroxydec-9-enoic acid?
The IUPAC name of 3-hydroxydec-9-enoic acid (CID 19010677) is 3-hydroxydec-9-enoic acid.
What is the SMILES notation for 3-hydroxydec-9-enoic acid?
The canonical SMILES for 3-hydroxydec-9-enoic acid is C=CCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxydec-9-enoic acid?
The InChIKey is ANJVCBASFCUSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2,9,11H,1,3-8H2,(H,12,13).
What are the key properties of 3-hydroxydec-9-enoic acid?
3-hydroxydec-9-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxydec-9-enoic acid is sourced from PubChem (CID 19010677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).