(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid

C18H30O2 — CID 21158584

IUPAC(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h10-11,14,16-17H,1-9,12-13,15H2,(H,19,20)/b16-10+
InChIKeyVVADPZMRTQHXRU-MHWRWJLKSA-N
MW278.44 g/mol
LogP5.49
Rot. Bonds12

About (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid

(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid (PubChem CID 21158584) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid.

Molecular Properties

Compound Name(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
PubChem CID21158584
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h10-11,14,16-17H,1-9,12-13,15H2,(H,19,20)/b16-10+
InChIKeyVVADPZMRTQHXRU-MHWRWJLKSA-N
XLogP5.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.49
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-13-cyclopent-2-en-1-yltridec-2-enoic 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

[(E)-17-[(1R)-cyclopent-2-en-1-yl]-5-oxoheptadec-10-enyl]-trimethylazanium
CID 58163576
13-[(1R)-cyclopent-2-en-1-yl]tridecanamide
CID 141290555
11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
CID 58163629
13-cyclopent-2-en-1-yltridecanoic acid;piperazine
CID 54610132
(E,7R)-13-[(1S)-cyclopent-2-en-1-yl]-7-ethyltridec-4-enoic acid
CID 163058708
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(3S)-3-(7-methoxyheptyl)cyclopentene
CID 57194147
13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
CID 77488595
(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid
CID 11460613
undec-2-enoic acid
CID 519180
(Z)-undec-2-enedioic acid
CID 59435158
14-bromotetradec-2-enoic acid
CID 54270933

Frequently Asked Questions

What is the IUPAC name of (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid?
The IUPAC name of (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid (CID 21158584) is (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid.
What is the SMILES notation for (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid?
The canonical SMILES for (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid is O=C(O)/C=C/CCCCCCCCCCC1C=CCC1.
What is the InChIKey of (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid?
The InChIKey is VVADPZMRTQHXRU-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h10-11,14,16-17H,1-9,12-13,15H2,(H,19,20)/b16-10+.
What are the key properties of (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid?
(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid has a molecular weight of 278.44 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-cyclopent-2-en-1-yltridec-2-enoic acid is sourced from PubChem (CID 21158584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).