[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane

C11H19Cl — CID 79335501

IUPAC[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane
SMILESCC(C)C(=CC1CCCC1)CCl
InChIInChI=1S/C11H19Cl/c1-9(2)11(8-12)7-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyJVILFHHTLCSGSP-UHFFFAOYSA-N
MW186.73 g/mol
LogP4.00
Rot. Bonds3

About [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane

[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane (PubChem CID 79335501) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane
PubChem CID79335501
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane
SMILESCC(C)C(=CC1CCCC1)CCl
InChIInChI=1S/C11H19Cl/c1-9(2)11(8-12)7-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyJVILFHHTLCSGSP-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.00
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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Related Compounds

[2-(chloromethyl)-3-methylbut-1-enyl]cyclohexane
CID 79335620
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
CID 79334822
2-(cyclopentylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339346
(3-methyl-2-nitrobut-1-enyl)cycloheptane
CID 115347820
(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid
CID 70351288
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 115278136
2-(cyclodecylmethylidene)-3-methylbutanoic acid
CID 66700134
2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339426
(4-methyl-2-nitropent-1-enyl)cyclopentane
CID 76948794
4-[2-(bromomethyl)-3-methylbut-1-enyl]oxane
CID 79323809
methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
CID 70462096
2-(cycloheptylmethylidene)butan-1-ol
CID 79335200

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane?
The IUPAC name of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane (CID 79335501) is [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane.
What is the SMILES notation for [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane?
The canonical SMILES for [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane is CC(C)C(=CC1CCCC1)CCl.
What is the InChIKey of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane?
The InChIKey is JVILFHHTLCSGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-9(2)11(8-12)7-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane?
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane has a molecular weight of 186.73 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane is sourced from PubChem (CID 79335501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).