9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid

C16H26O2 — CID 59748100

IUPAC9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid
SMILESO=C(O)CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C16H26O2/c17-16(18)8-6-4-2-1-3-5-7-14-11-13-9-10-15(14)12-13/h9-10,13-15H,1-8,11-12H2,(H,17,18)
InChIKeyPSNHIEDININCKN-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.40
Rot. Bonds9

About 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid

9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid (PubChem CID 59748100) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid.

Molecular Properties

Compound Name9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid
PubChem CID59748100
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid
SMILESO=C(O)CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C16H26O2/c17-16(18)8-6-4-2-1-3-5-7-14-11-13-9-10-15(14)12-13/h9-10,13-15H,1-8,11-12H2,(H,17,18)
InChIKeyPSNHIEDININCKN-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Norbornene-2-carboxylic acid
CID 78949
Chaulmoogric Acid
CID 441446
5-Norbornene-2,3-dicarboxylic acid
CID 97965
(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid
CID 5280729
Cyclocarboxypropyloleic acid
CID 105841
Dilinoleic acid
CID 232568
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
5-Norbornene-2,3-dicarboxylic acid, cis-endo-
CID 6541030
Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
13-(Cyclopent-2-Enyl)Tridecanoic Acid
CID 72853
2-Cyclopentene-1-tridecanoic acid
CID 12302887
2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid
CID 136650

Frequently Asked Questions

What is the IUPAC name of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid?
The IUPAC name of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid (CID 59748100) is 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid.
What is the SMILES notation for 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid?
The canonical SMILES for 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid is O=C(O)CCCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid?
The InChIKey is PSNHIEDININCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c17-16(18)8-6-4-2-1-3-5-7-14-11-13-9-10-15(14)12-13/h9-10,13-15H,1-8,11-12H2,(H,17,18).
What are the key properties of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid?
9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid has a molecular weight of 250.38 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bicyclo[2.2.1]hept-5-enyl)nonanoic acid is sourced from PubChem (CID 59748100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).