2-cyclopentylpropanoyl chloride

C8H13ClO — CID 18426767

IUPAC2-cyclopentylpropanoyl chloride
SMILESCC(C(=O)Cl)C1CCCC1
InChIInChI=1S/C8H13ClO/c1-6(8(9)10)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyPFSLCDNYNJTYDO-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.58
Rot. Bonds2

About 2-cyclopentylpropanoyl chloride

2-cyclopentylpropanoyl chloride (PubChem CID 18426767) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 2-cyclopentylpropanoyl chloride.

Molecular Properties

Compound Name2-cyclopentylpropanoyl chloride
PubChem CID18426767
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name2-cyclopentylpropanoyl chloride
SMILESCC(C(=O)Cl)C1CCCC1
InChIInChI=1S/C8H13ClO/c1-6(8(9)10)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyPFSLCDNYNJTYDO-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylpropanoyl chloride
CID 3016042
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
3-cyclohexyl-2-oxobutanoic acid
CID 13391916
2,3-bis(1-cyclohexylethyl)but-2-enedioic acid
CID 67547723
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
2-cyclohexyl-2-hydroxyacetyl chloride
CID 87847920
lithium;2-cyclohexylpropanamide;hydride
CID 173193796
2-cyclohexyl-N-methylpropanamide;ethane
CID 143855673
ethyl 2-cyclopentylpropanoate
CID 10654733
CID 89276042
CID 89276042
tert-butyl 2-cyclopentylpropanoate
CID 142496420
1-cyclopentylethyl 2,2,2-trichloroacetate
CID 566281

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylpropanoyl chloride?
The IUPAC name of 2-cyclopentylpropanoyl chloride (CID 18426767) is 2-cyclopentylpropanoyl chloride.
What is the SMILES notation for 2-cyclopentylpropanoyl chloride?
The canonical SMILES for 2-cyclopentylpropanoyl chloride is CC(C(=O)Cl)C1CCCC1.
What is the InChIKey of 2-cyclopentylpropanoyl chloride?
The InChIKey is PFSLCDNYNJTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c1-6(8(9)10)7-4-2-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclopentylpropanoyl chloride?
2-cyclopentylpropanoyl chloride has a molecular weight of 160.64 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpropanoyl chloride is sourced from PubChem (CID 18426767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).