(3-chloro-4-methylpentan-2-yl)cyclopentane

C11H21Cl — CID 79299407

IUPAC(3-chloro-4-methylpentan-2-yl)cyclopentane
SMILESCC(C)C(Cl)C(C)C1CCCC1
InChIInChI=1S/C11H21Cl/c1-8(2)11(12)9(3)10-6-4-5-7-10/h8-11H,4-7H2,1-3H3
InChIKeyYNIUXWOSSABKNM-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.08
Rot. Bonds3

About (3-chloro-4-methylpentan-2-yl)cyclopentane

(3-chloro-4-methylpentan-2-yl)cyclopentane (PubChem CID 79299407) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is (3-chloro-4-methylpentan-2-yl)cyclopentane.

Molecular Properties

Compound Name(3-chloro-4-methylpentan-2-yl)cyclopentane
PubChem CID79299407
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name(3-chloro-4-methylpentan-2-yl)cyclopentane
SMILESCC(C)C(Cl)C(C)C1CCCC1
InChIInChI=1S/C11H21Cl/c1-8(2)11(12)9(3)10-6-4-5-7-10/h8-11H,4-7H2,1-3H3
InChIKeyYNIUXWOSSABKNM-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Related Compounds

[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
1-chloroethylcyclododecane
CID 66468842
2-chloro-1-cyclopentylpropan-1-ol
CID 116863753
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
cyclohexane;dichloromethylcyclohexane
CID 118430501
methane;propan-2-ylcyclotetradecane
CID 159882779
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
1-cyclopentylethylcyclohexane
CID 57034702
1-cyclopropylethylcyclopentane
CID 147777183
[(3R)-3-cyclobutylbutan-2-yl]phosphane
CID 70667420
3-cyclododecylbutan-2-ol
CID 10444334
1-cycloheptylpropane-1,2-diol
CID 103452573

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpentan-2-yl)cyclopentane?
The IUPAC name of (3-chloro-4-methylpentan-2-yl)cyclopentane (CID 79299407) is (3-chloro-4-methylpentan-2-yl)cyclopentane.
What is the SMILES notation for (3-chloro-4-methylpentan-2-yl)cyclopentane?
The canonical SMILES for (3-chloro-4-methylpentan-2-yl)cyclopentane is CC(C)C(Cl)C(C)C1CCCC1.
What is the InChIKey of (3-chloro-4-methylpentan-2-yl)cyclopentane?
The InChIKey is YNIUXWOSSABKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-8(2)11(12)9(3)10-6-4-5-7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of (3-chloro-4-methylpentan-2-yl)cyclopentane?
(3-chloro-4-methylpentan-2-yl)cyclopentane has a molecular weight of 188.74 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylpentan-2-yl)cyclopentane is sourced from PubChem (CID 79299407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).