2-hydroxydec-4-enoic acid

C10H18O3 — CID 54065506

IUPAC2-hydroxydec-4-enoic acid
SMILESCCCCCC=CCC(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h6-7,9,11H,2-5,8H2,1H3,(H,12,13)
InChIKeyMCQPSITVQYKMJR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds7

About 2-hydroxydec-4-enoic acid

2-hydroxydec-4-enoic acid (PubChem CID 54065506) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-hydroxydec-4-enoic acid.

Molecular Properties

Compound Name2-hydroxydec-4-enoic acid
PubChem CID54065506
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-hydroxydec-4-enoic acid
SMILESCCCCCC=CCC(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h6-7,9,11H,2-5,8H2,1H3,(H,12,13)
InChIKeyMCQPSITVQYKMJR-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxydec-4-enoic acid?
The IUPAC name of 2-hydroxydec-4-enoic acid (CID 54065506) is 2-hydroxydec-4-enoic acid.
What is the SMILES notation for 2-hydroxydec-4-enoic acid?
The canonical SMILES for 2-hydroxydec-4-enoic acid is CCCCCC=CCC(O)C(=O)O.
What is the InChIKey of 2-hydroxydec-4-enoic acid?
The InChIKey is MCQPSITVQYKMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h6-7,9,11H,2-5,8H2,1H3,(H,12,13).
What are the key properties of 2-hydroxydec-4-enoic acid?
2-hydroxydec-4-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydec-4-enoic acid is sourced from PubChem (CID 54065506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).