1-chloro-2-ethyl-4-methylcyclopentane

C8H15Cl — CID 174663037

IUPAC1-chloro-2-ethyl-4-methylcyclopentane
SMILESCCC1CC(C)CC1Cl
InChIInChI=1S/C8H15Cl/c1-3-7-4-6(2)5-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeyNITVMATZGCZRIC-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.05
Rot. Bonds1

About 1-chloro-2-ethyl-4-methylcyclopentane

1-chloro-2-ethyl-4-methylcyclopentane (PubChem CID 174663037) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-chloro-2-ethyl-4-methylcyclopentane.

Molecular Properties

Compound Name1-chloro-2-ethyl-4-methylcyclopentane
PubChem CID174663037
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-chloro-2-ethyl-4-methylcyclopentane
SMILESCCC1CC(C)CC1Cl
InChIInChI=1S/C8H15Cl/c1-3-7-4-6(2)5-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeyNITVMATZGCZRIC-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.05
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

cis-(1R,2R)-1-chloro-2-ethylcyclopropane
CID 13214081
1-chloro-3-ethyl-2,5-dimethylcyclohexane
CID 170272561
(4S)-2-ethyl-4-methylcyclopentan-1-amine
CID 163423682
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664
(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
CID 144517019
(2R)-2-chloro-1,4-diethylcyclohexane
CID 58445540
3-ethyl-5-methylcyclohexane-1,2-diol
CID 118343814
(2-ethyl-4-methylcyclopentyl)methyl cyanate
CID 139298599
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-4-methylcyclopentane?
The IUPAC name of 1-chloro-2-ethyl-4-methylcyclopentane (CID 174663037) is 1-chloro-2-ethyl-4-methylcyclopentane.
What is the SMILES notation for 1-chloro-2-ethyl-4-methylcyclopentane?
The canonical SMILES for 1-chloro-2-ethyl-4-methylcyclopentane is CCC1CC(C)CC1Cl.
What is the InChIKey of 1-chloro-2-ethyl-4-methylcyclopentane?
The InChIKey is NITVMATZGCZRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-3-7-4-6(2)5-8(7)9/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-chloro-2-ethyl-4-methylcyclopentane?
1-chloro-2-ethyl-4-methylcyclopentane has a molecular weight of 146.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-4-methylcyclopentane is sourced from PubChem (CID 174663037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).