4-dec-8-enylbenzoic acid

C17H24O2 — CID 151842838

IUPAC4-dec-8-enylbenzoic acid
SMILESCC=CCCCCCCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H24O2/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19/h2-3,11-14H,4-10H2,1H3,(H,18,19)
InChIKeySHAMUMOJGKTXAY-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.84
Rot. Bonds9

About 4-dec-8-enylbenzoic acid

4-dec-8-enylbenzoic acid (PubChem CID 151842838) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-dec-8-enylbenzoic acid.

Molecular Properties

Compound Name4-dec-8-enylbenzoic acid
PubChem CID151842838
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-dec-8-enylbenzoic acid
SMILESCC=CCCCCCCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H24O2/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19/h2-3,11-14H,4-10H2,1H3,(H,18,19)
InChIKeySHAMUMOJGKTXAY-UHFFFAOYSA-N
XLogP4.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.84
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

4-[(E)-octadec-9-enyl]benzoic acid
CID 67928676
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-hept-5-enylphenol
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[(E)-oct-6-enyl]benzene;prop-1-ene
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[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid
CID 144534534
4-(6-methylheptyl)benzoic acid
CID 70349425
4-(4-dodecylphenyl)benzoic acid
CID 3092136
4-[4-[4-(4-methylphenyl)butyl]phenyl]benzoic acid
CID 67375612
4-butylbenzoic acid;zinc
CID 175174767
4-(4-iodobutyl)benzoic acid
CID 86118519
CID 69445910
CID 69445910
1-hex-4-enyl-4-phenylbenzene
CID 174423294

Frequently Asked Questions

What is the IUPAC name of 4-dec-8-enylbenzoic acid?
The IUPAC name of 4-dec-8-enylbenzoic acid (CID 151842838) is 4-dec-8-enylbenzoic acid.
What is the SMILES notation for 4-dec-8-enylbenzoic acid?
The canonical SMILES for 4-dec-8-enylbenzoic acid is CC=CCCCCCCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-dec-8-enylbenzoic acid?
The InChIKey is SHAMUMOJGKTXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19/h2-3,11-14H,4-10H2,1H3,(H,18,19).
What are the key properties of 4-dec-8-enylbenzoic acid?
4-dec-8-enylbenzoic acid has a molecular weight of 260.38 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dec-8-enylbenzoic acid is sourced from PubChem (CID 151842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).