[2-(chloromethyl)-3-methylbutyl]cyclopentane

C11H21Cl — CID 66035214

IUPAC[2-(chloromethyl)-3-methylbutyl]cyclopentane
SMILESCC(C)C(CCl)CC1CCCC1
InChIInChI=1S/C11H21Cl/c1-9(2)11(8-12)7-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3
InChIKeyDWRGQEBREMHJDK-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.08
Rot. Bonds4

About [2-(chloromethyl)-3-methylbutyl]cyclopentane

[2-(chloromethyl)-3-methylbutyl]cyclopentane (PubChem CID 66035214) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylbutyl]cyclopentane.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylbutyl]cyclopentane
PubChem CID66035214
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name[2-(chloromethyl)-3-methylbutyl]cyclopentane
SMILESCC(C)C(CCl)CC1CCCC1
InChIInChI=1S/C11H21Cl/c1-9(2)11(8-12)7-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3
InChIKeyDWRGQEBREMHJDK-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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 [2-(chloromethyl)-3-methylbutyl]cyclopentane?
The IUPAC name of [2-(chloromethyl)-3-methylbutyl]cyclopentane (CID 66035214) is [2-(chloromethyl)-3-methylbutyl]cyclopentane.
What is the SMILES notation for [2-(chloromethyl)-3-methylbutyl]cyclopentane?
The canonical SMILES for [2-(chloromethyl)-3-methylbutyl]cyclopentane is CC(C)C(CCl)CC1CCCC1.
What is the InChIKey of [2-(chloromethyl)-3-methylbutyl]cyclopentane?
The InChIKey is DWRGQEBREMHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-9(2)11(8-12)7-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3.
What are the key properties of [2-(chloromethyl)-3-methylbutyl]cyclopentane?
[2-(chloromethyl)-3-methylbutyl]cyclopentane has a molecular weight of 188.74 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylbutyl]cyclopentane is sourced from PubChem (CID 66035214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).