11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride

C16H27ClO — CID 58163629

IUPAC11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
SMILESO=C(Cl)CCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C16H27ClO/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2/t15-/m0/s1
InChIKeyBVUKJZDJAIXTPO-HNNXBMFYSA-N
MW270.84 g/mol
LogP5.62
Rot. Bonds11

About 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride

11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride (PubChem CID 58163629) has the molecular formula C16H27ClO and a molecular weight of 270.84 g/mol. Its IUPAC name is 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride.

Molecular Properties

Compound Name11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
PubChem CID58163629
Molecular FormulaC16H27ClO
Molecular Weight270.84 g/mol
Exact Mass270.18
IUPAC Name11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
SMILESO=C(Cl)CCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C16H27ClO/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2/t15-/m0/s1
InChIKeyBVUKJZDJAIXTPO-HNNXBMFYSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.84
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride 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

13-[(1R)-cyclopent-2-en-1-yl]tridecanamide
CID 141290555
13-cyclopent-2-en-1-yltridecanoic acid;piperazine
CID 54610132
(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
CID 21158584
(3S)-3-nonylcyclopentene
CID 90814175
13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
CID 77488595
[(E)-17-[(1R)-cyclopent-2-en-1-yl]-5-oxoheptadec-10-enyl]-trimethylazanium
CID 58163576
5-cyclopropylpentanoyl chloride
CID 21489686
13-cyclopentyltridecanoyl chloride
CID 58163625
13-cyclopent-2-en-1-yltridecanoic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 90014146
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
(3S)-3-(7-methoxyheptyl)cyclopentene
CID 57194147
(E,7R)-13-[(1S)-cyclopent-2-en-1-yl]-7-ethyltridec-4-enoic acid
CID 163058708

Frequently Asked Questions

What is the IUPAC name of 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride?
The IUPAC name of 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride (CID 58163629) is 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride.
What is the SMILES notation for 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride?
The canonical SMILES for 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride is O=C(Cl)CCCCCCCCCC[C@H]1C=CCC1.
What is the InChIKey of 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride?
The InChIKey is BVUKJZDJAIXTPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27ClO/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2/t15-/m0/s1.
What are the key properties of 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride?
11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride has a molecular weight of 270.84 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride is sourced from PubChem (CID 58163629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).