(3-chloro-2-methylbutyl)cyclopentane

C10H19Cl — CID 63459666

IUPAC(3-chloro-2-methylbutyl)cyclopentane
SMILESCC(Cl)C(C)CC1CCCC1
InChIInChI=1S/C10H19Cl/c1-8(9(2)11)7-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3
InChIKeyGCICTOYHMPCZCY-UHFFFAOYSA-N
MW174.72 g/mol
LogP3.83
Rot. Bonds3

About (3-chloro-2-methylbutyl)cyclopentane

(3-chloro-2-methylbutyl)cyclopentane (PubChem CID 63459666) has the molecular formula C10H19Cl and a molecular weight of 174.72 g/mol. Its IUPAC name is (3-chloro-2-methylbutyl)cyclopentane.

Molecular Properties

Compound Name(3-chloro-2-methylbutyl)cyclopentane
PubChem CID63459666
Molecular FormulaC10H19Cl
Molecular Weight174.72 g/mol
Exact Mass174.12
IUPAC Name(3-chloro-2-methylbutyl)cyclopentane
SMILESCC(Cl)C(C)CC1CCCC1
InChIInChI=1S/C10H19Cl/c1-8(9(2)11)7-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3
InChIKeyGCICTOYHMPCZCY-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.72
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutylcyclodecane
CID 123220792
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
2-cyclopropylpropylcyclobutane
CID 54087952
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
2,3,5,5-tetramethylhexylcyclohexane
CID 57232687
[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
[2-(chloromethyl)-3-methylbutyl]cyclopentane
CID 66035214

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylbutyl)cyclopentane?
The IUPAC name of (3-chloro-2-methylbutyl)cyclopentane (CID 63459666) is (3-chloro-2-methylbutyl)cyclopentane.
What is the SMILES notation for (3-chloro-2-methylbutyl)cyclopentane?
The canonical SMILES for (3-chloro-2-methylbutyl)cyclopentane is CC(Cl)C(C)CC1CCCC1.
What is the InChIKey of (3-chloro-2-methylbutyl)cyclopentane?
The InChIKey is GCICTOYHMPCZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-8(9(2)11)7-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3.
What are the key properties of (3-chloro-2-methylbutyl)cyclopentane?
(3-chloro-2-methylbutyl)cyclopentane has a molecular weight of 174.72 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylbutyl)cyclopentane is sourced from PubChem (CID 63459666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).