13-cyclopentyltridecanoyl chloride

C18H33ClO — CID 58163625

IUPAC13-cyclopentyltridecanoyl chloride
SMILESO=C(Cl)CCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C18H33ClO/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2
InChIKeyJFSCIKOUYSBBKA-UHFFFAOYSA-N
MW300.91 g/mol
LogP6.62
Rot. Bonds13

About 13-cyclopentyltridecanoyl chloride

13-cyclopentyltridecanoyl chloride (PubChem CID 58163625) has the molecular formula C18H33ClO and a molecular weight of 300.91 g/mol. Its IUPAC name is 13-cyclopentyltridecanoyl chloride.

Molecular Properties

Compound Name13-cyclopentyltridecanoyl chloride
PubChem CID58163625
Molecular FormulaC18H33ClO
Molecular Weight300.91 g/mol
Exact Mass300.22
IUPAC Name13-cyclopentyltridecanoyl chloride
SMILESO=C(Cl)CCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C18H33ClO/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2
InChIKeyJFSCIKOUYSBBKA-UHFFFAOYSA-N
XLogP6.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.91
LogP ≤ 56.62
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'}

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Related Compounds

5-cyclopropylpentanoyl chloride
CID 21489686
18-cyclohexyloctadecanamide
CID 70490920
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
chloro 11-cyclopentylundecanoate
CID 140562427
8-cyclobutyloctanoic acid
CID 72551210
5-chlorohex-5-enylcyclohexane
CID 174971012
sodium 5-cyclohexylpentanoate
CID 101013497
carbonyl dichloride;pentylcyclohexane
CID 19977556
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040

Frequently Asked Questions

What is the IUPAC name of 13-cyclopentyltridecanoyl chloride?
The IUPAC name of 13-cyclopentyltridecanoyl chloride (CID 58163625) is 13-cyclopentyltridecanoyl chloride.
What is the SMILES notation for 13-cyclopentyltridecanoyl chloride?
The canonical SMILES for 13-cyclopentyltridecanoyl chloride is O=C(Cl)CCCCCCCCCCCCC1CCCC1.
What is the InChIKey of 13-cyclopentyltridecanoyl chloride?
The InChIKey is JFSCIKOUYSBBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33ClO/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2.
What are the key properties of 13-cyclopentyltridecanoyl chloride?
13-cyclopentyltridecanoyl chloride has a molecular weight of 300.91 g/mol, XLogP of 6.62, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclopentyltridecanoyl chloride is sourced from PubChem (CID 58163625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).