1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene

C11H17Cl — CID 131016404

IUPAC1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene
SMILESClCC1(CC2=CCCC2)CCC1
InChIInChI=1S/C11H17Cl/c12-9-11(6-3-7-11)8-10-4-1-2-5-10/h4H,1-3,5-9H2
InChIKeyYZVIPSDOJBGHEM-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.90
Rot. Bonds3

About 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene

1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene (PubChem CID 131016404) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene.

Molecular Properties

Compound Name1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene
PubChem CID131016404
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene
SMILESClCC1(CC2=CCCC2)CCC1
InChIInChI=1S/C11H17Cl/c12-9-11(6-3-7-11)8-10-4-1-2-5-10/h4H,1-3,5-9H2
InChIKeyYZVIPSDOJBGHEM-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene?
The IUPAC name of 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene (CID 131016404) is 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene.
What is the SMILES notation for 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene?
The canonical SMILES for 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene is ClCC1(CC2=CCCC2)CCC1.
What is the InChIKey of 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene?
The InChIKey is YZVIPSDOJBGHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl/c12-9-11(6-3-7-11)8-10-4-1-2-5-10/h4H,1-3,5-9H2.
What are the key properties of 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene?
1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene has a molecular weight of 184.71 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(chloromethyl)cyclobutyl]methyl]cyclopentene is sourced from PubChem (CID 131016404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).