1-(chloromethyl)-1-(3-methylbutyl)cyclopentane

C11H21Cl — CID 66034231

IUPAC1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
SMILESCC(C)CCC1(CCl)CCCC1
InChIInChI=1S/C11H21Cl/c1-10(2)5-8-11(9-12)6-3-4-7-11/h10H,3-9H2,1-2H3
InChIKeyKMSLIWLDIAXEHZ-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.22
Rot. Bonds4

About 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane

1-(chloromethyl)-1-(3-methylbutyl)cyclopentane (PubChem CID 66034231) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
PubChem CID66034231
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
SMILESCC(C)CCC1(CCl)CCCC1
InChIInChI=1S/C11H21Cl/c1-10(2)5-8-11(9-12)6-3-4-7-11/h10H,3-9H2,1-2H3
InChIKeyKMSLIWLDIAXEHZ-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane?
The IUPAC name of 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane (CID 66034231) is 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane.
What is the SMILES notation for 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane?
The canonical SMILES for 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane is CC(C)CCC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane?
The InChIKey is KMSLIWLDIAXEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-10(2)5-8-11(9-12)6-3-4-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane?
1-(chloromethyl)-1-(3-methylbutyl)cyclopentane has a molecular weight of 188.74 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(3-methylbutyl)cyclopentane is sourced from PubChem (CID 66034231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).