3-hydroxydodec-6-enoic acid

C12H22O3 — CID 57359506

IUPAC3-hydroxydodec-6-enoic acid
SMILESCCCCCC=CCCC(O)CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15)
InChIKeyPCZWZQDPYMZGMC-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds9

About 3-hydroxydodec-6-enoic acid

3-hydroxydodec-6-enoic acid (PubChem CID 57359506) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-hydroxydodec-6-enoic acid.

Molecular Properties

Compound Name3-hydroxydodec-6-enoic acid
PubChem CID57359506
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-hydroxydodec-6-enoic acid
SMILESCCCCCC=CCCC(O)CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15)
InChIKeyPCZWZQDPYMZGMC-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.74
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-hydroxydodec-6-enoic acid?
The IUPAC name of 3-hydroxydodec-6-enoic acid (CID 57359506) is 3-hydroxydodec-6-enoic acid.
What is the SMILES notation for 3-hydroxydodec-6-enoic acid?
The canonical SMILES for 3-hydroxydodec-6-enoic acid is CCCCCC=CCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxydodec-6-enoic acid?
The InChIKey is PCZWZQDPYMZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15).
What are the key properties of 3-hydroxydodec-6-enoic acid?
3-hydroxydodec-6-enoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxydodec-6-enoic acid is sourced from PubChem (CID 57359506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).