chloro 11-cyclopentylundecanoate

C16H29ClO2 — CID 140562427

IUPACchloro 11-cyclopentylundecanoate
SMILESO=C(CCCCCCCCCCC1CCCC1)OCl
InChIInChI=1S/C16H29ClO2/c17-19-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h15H,1-14H2
InChIKeyVGLGKLPRNGRNRR-UHFFFAOYSA-N
MW288.86 g/mol
LogP5.77
Rot. Bonds11

About chloro 11-cyclopentylundecanoate

chloro 11-cyclopentylundecanoate (PubChem CID 140562427) has the molecular formula C16H29ClO2 and a molecular weight of 288.86 g/mol. Its IUPAC name is chloro 11-cyclopentylundecanoate.

Molecular Properties

Compound Namechloro 11-cyclopentylundecanoate
PubChem CID140562427
Molecular FormulaC16H29ClO2
Molecular Weight288.86 g/mol
Exact Mass288.19
IUPAC Namechloro 11-cyclopentylundecanoate
SMILESO=C(CCCCCCCCCCC1CCCC1)OCl
InChIInChI=1S/C16H29ClO2/c17-19-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h15H,1-14H2
InChIKeyVGLGKLPRNGRNRR-UHFFFAOYSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.86
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-cyclopentyltridecanoyl chloride
CID 58163625
ethenyl 15-cyclohexylpentadecanoate
CID 141448465
18-cyclohexyloctadecanamide
CID 70490920
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
8-cyclobutyloctanoic acid
CID 72551210
sodium 5-cyclohexylpentanoate
CID 101013497
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
methyl 6-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]hexanoate
CID 111608920
3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate
CID 54021454

Frequently Asked Questions

What is the IUPAC name of chloro 11-cyclopentylundecanoate?
The IUPAC name of chloro 11-cyclopentylundecanoate (CID 140562427) is chloro 11-cyclopentylundecanoate.
What is the SMILES notation for chloro 11-cyclopentylundecanoate?
The canonical SMILES for chloro 11-cyclopentylundecanoate is O=C(CCCCCCCCCCC1CCCC1)OCl.
What is the InChIKey of chloro 11-cyclopentylundecanoate?
The InChIKey is VGLGKLPRNGRNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClO2/c17-19-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h15H,1-14H2.
What are the key properties of chloro 11-cyclopentylundecanoate?
chloro 11-cyclopentylundecanoate has a molecular weight of 288.86 g/mol, XLogP of 5.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 11-cyclopentylundecanoate is sourced from PubChem (CID 140562427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).