2-[(E)-hex-1-enyl]nonanoic acid

C15H28O2 — CID 89229549

IUPAC2-[(E)-hex-1-enyl]nonanoic acid
SMILESCCCC/C=C/C(CCCCCCC)C(=O)O
InChIInChI=1S/C15H28O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2/h10,12,14H,3-9,11,13H2,1-2H3,(H,16,17)/b12-10+
InChIKeyIOPNCVHCRZASLW-ZRDIBKRKSA-N
MW240.39 g/mol
LogP4.79
Rot. Bonds11

About 2-[(E)-hex-1-enyl]nonanoic acid

2-[(E)-hex-1-enyl]nonanoic acid (PubChem CID 89229549) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]nonanoic acid.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]nonanoic acid
PubChem CID89229549
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(E)-hex-1-enyl]nonanoic acid
SMILESCCCC/C=C/C(CCCCCCC)C(=O)O
InChIInChI=1S/C15H28O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2/h10,12,14H,3-9,11,13H2,1-2H3,(H,16,17)/b12-10+
InChIKeyIOPNCVHCRZASLW-ZRDIBKRKSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.79
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'}

Analyze 2-[(E)-hex-1-enyl]nonanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-butylhept-3-enoic acid
CID 166071483
2-[(E)-henicos-1-enyl]pentanedioic acid
CID 22912638
2-octadec-1-enylpentanedioic acid
CID 74003712
2-hexylhex-3-enedioic acid
CID 142465672
(E)-2-(2-oxopropyl)tetradec-3-enoic acid
CID 134266543
(E)-2-butyloct-3-enoic acid;methyl hexanoate
CID 175934998
(E)-2-ethylnon-3-enoic acid
CID 166071468
2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid
CID 134223187
2-tetradec-1-enylbutanedioic acid
CID 3018655
2-tetracos-1-enylbutanedioic acid
CID 123737122
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755
(E)-2-hexadecylicos-3-enamide
CID 87517477

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-1-enyl]nonanoic acid?
The IUPAC name of 2-[(E)-hex-1-enyl]nonanoic acid (CID 89229549) is 2-[(E)-hex-1-enyl]nonanoic acid.
What is the SMILES notation for 2-[(E)-hex-1-enyl]nonanoic acid?
The canonical SMILES for 2-[(E)-hex-1-enyl]nonanoic acid is CCCC/C=C/C(CCCCCCC)C(=O)O.
What is the InChIKey of 2-[(E)-hex-1-enyl]nonanoic acid?
The InChIKey is IOPNCVHCRZASLW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2/h10,12,14H,3-9,11,13H2,1-2H3,(H,16,17)/b12-10+.
What are the key properties of 2-[(E)-hex-1-enyl]nonanoic acid?
2-[(E)-hex-1-enyl]nonanoic acid has a molecular weight of 240.39 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]nonanoic acid is sourced from PubChem (CID 89229549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).