1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane

C11H19Cl — CID 114477384

IUPAC1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane
SMILESC=C(C)CCC1CCC(Cl)C1C
InChIInChI=1S/C11H19Cl/c1-8(2)4-5-10-6-7-11(12)9(10)3/h9-11H,1,4-7H2,2-3H3
InChIKeyLXYSTJGMSVNJBL-UHFFFAOYSA-N
MW186.73 g/mol
LogP4.00
Rot. Bonds3

About 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane

1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane (PubChem CID 114477384) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane.

Molecular Properties

Compound Name1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane
PubChem CID114477384
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane
SMILESC=C(C)CCC1CCC(Cl)C1C
InChIInChI=1S/C11H19Cl/c1-8(2)4-5-10-6-7-11(12)9(10)3/h9-11H,1,4-7H2,2-3H3
InChIKeyLXYSTJGMSVNJBL-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

1-chloro-2-methyl-3-(2-methylsulfinylethyl)cyclopentane
CID 130791891
N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
CID 114477751
4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 114476472
1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
CID 106732576
1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane
CID 123584713
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756
(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid
CID 141198595
N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
CID 114477712
2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene
CID 64909685
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114477770
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane?
The IUPAC name of 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane (CID 114477384) is 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane.
What is the SMILES notation for 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane?
The canonical SMILES for 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane is C=C(C)CCC1CCC(Cl)C1C.
What is the InChIKey of 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane?
The InChIKey is LXYSTJGMSVNJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-8(2)4-5-10-6-7-11(12)9(10)3/h9-11H,1,4-7H2,2-3H3.
What are the key properties of 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane?
1-chloro-2-methyl-3-(3-methylbut-3-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 1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane is sourced from PubChem (CID 114477384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).