3-hydroxyundec-10-enoic acid

C11H20O3 — CID 19966374

IUPAC3-hydroxyundec-10-enoic acid
SMILESC=CCCCCCCC(O)CC(=O)O
InChIInChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyVATLWWDLSNGELA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.35
Rot. Bonds9

About 3-hydroxyundec-10-enoic acid

3-hydroxyundec-10-enoic acid (PubChem CID 19966374) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-hydroxyundec-10-enoic acid.

Molecular Properties

Compound Name3-hydroxyundec-10-enoic acid
PubChem CID19966374
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-hydroxyundec-10-enoic acid
SMILESC=CCCCCCCC(O)CC(=O)O
InChIInChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyVATLWWDLSNGELA-UHFFFAOYSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyundec-10-enoic acid?
The IUPAC name of 3-hydroxyundec-10-enoic acid (CID 19966374) is 3-hydroxyundec-10-enoic acid.
What is the SMILES notation for 3-hydroxyundec-10-enoic acid?
The canonical SMILES for 3-hydroxyundec-10-enoic acid is C=CCCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxyundec-10-enoic acid?
The InChIKey is VATLWWDLSNGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14).
What are the key properties of 3-hydroxyundec-10-enoic acid?
3-hydroxyundec-10-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyundec-10-enoic acid is sourced from PubChem (CID 19966374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).