2-cyclohexyldecanoic acid

C16H30O2 — CID 19004831

IUPAC2-cyclohexyldecanoic acid
SMILESCCCCCCCCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-10-13-15(16(17)18)14-11-8-7-9-12-14/h14-15H,2-13H2,1H3,(H,17,18)
InChIKeyJFETVROTFMZCOR-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.02
Rot. Bonds9

About 2-cyclohexyldecanoic acid

2-cyclohexyldecanoic acid (PubChem CID 19004831) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-cyclohexyldecanoic acid.

Molecular Properties

Compound Name2-cyclohexyldecanoic acid
PubChem CID19004831
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-cyclohexyldecanoic acid
SMILESCCCCCCCCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-10-13-15(16(17)18)14-11-8-7-9-12-14/h14-15H,2-13H2,1H3,(H,17,18)
InChIKeyJFETVROTFMZCOR-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyldecanoic acid?
The IUPAC name of 2-cyclohexyldecanoic acid (CID 19004831) is 2-cyclohexyldecanoic acid.
What is the SMILES notation for 2-cyclohexyldecanoic acid?
The canonical SMILES for 2-cyclohexyldecanoic acid is CCCCCCCCC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyldecanoic acid?
The InChIKey is JFETVROTFMZCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-2-3-4-5-6-10-13-15(16(17)18)14-11-8-7-9-12-14/h14-15H,2-13H2,1H3,(H,17,18).
What are the key properties of 2-cyclohexyldecanoic acid?
2-cyclohexyldecanoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyldecanoic acid is sourced from PubChem (CID 19004831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).