9-cycloheptylnonanoic acid

C16H30O2 — CID 86181572

IUPAC9-cycloheptylnonanoic acid
SMILESO=C(O)CCCCCCCCC1CCCCCC1
InChIInChI=1S/C16H30O2/c17-16(18)14-10-4-2-1-3-7-11-15-12-8-5-6-9-13-15/h15H,1-14H2,(H,17,18)
InChIKeyUQBKDOGXRBMFLK-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.16
Rot. Bonds9

About 9-cycloheptylnonanoic acid

9-cycloheptylnonanoic acid (PubChem CID 86181572) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 9-cycloheptylnonanoic acid.

Molecular Properties

Compound Name9-cycloheptylnonanoic acid
PubChem CID86181572
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name9-cycloheptylnonanoic acid
SMILESO=C(O)CCCCCCCCC1CCCCCC1
InChIInChI=1S/C16H30O2/c17-16(18)14-10-4-2-1-3-7-11-15-12-8-5-6-9-13-15/h15H,1-14H2,(H,17,18)
InChIKeyUQBKDOGXRBMFLK-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
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 9-cycloheptylnonanoic acid?
The IUPAC name of 9-cycloheptylnonanoic acid (CID 86181572) is 9-cycloheptylnonanoic acid.
What is the SMILES notation for 9-cycloheptylnonanoic acid?
The canonical SMILES for 9-cycloheptylnonanoic acid is O=C(O)CCCCCCCCC1CCCCCC1.
What is the InChIKey of 9-cycloheptylnonanoic acid?
The InChIKey is UQBKDOGXRBMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c17-16(18)14-10-4-2-1-3-7-11-15-12-8-5-6-9-13-15/h15H,1-14H2,(H,17,18).
What are the key properties of 9-cycloheptylnonanoic acid?
9-cycloheptylnonanoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cycloheptylnonanoic acid is sourced from PubChem (CID 86181572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).