2-chloro-4-ethyl-1-methylcyclohexane

C9H17Cl — CID 89207092

IUPAC2-chloro-4-ethyl-1-methylcyclohexane
SMILESCCC1CCC(C)C(Cl)C1
InChIInChI=1S/C9H17Cl/c1-3-8-5-4-7(2)9(10)6-8/h7-9H,3-6H2,1-2H3
InChIKeyMBHYRQYCGGBRJQ-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.44
Rot. Bonds1

About 2-chloro-4-ethyl-1-methylcyclohexane

2-chloro-4-ethyl-1-methylcyclohexane (PubChem CID 89207092) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-methylcyclohexane.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-methylcyclohexane
PubChem CID89207092
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name2-chloro-4-ethyl-1-methylcyclohexane
SMILESCCC1CCC(C)C(Cl)C1
InChIInChI=1S/C9H17Cl/c1-3-8-5-4-7(2)9(10)6-8/h7-9H,3-6H2,1-2H3
InChIKeyMBHYRQYCGGBRJQ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.44
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)-2-chloro-1,4-diethylcyclohexane
CID 58445540
1,3-diethylcyclopentane
CID 530396
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1-ethyl-3-methylcyclopentane;methane
CID 144878558
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane
CID 143344984
1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane
CID 63461508
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-methylcyclohexane?
The IUPAC name of 2-chloro-4-ethyl-1-methylcyclohexane (CID 89207092) is 2-chloro-4-ethyl-1-methylcyclohexane.
What is the SMILES notation for 2-chloro-4-ethyl-1-methylcyclohexane?
The canonical SMILES for 2-chloro-4-ethyl-1-methylcyclohexane is CCC1CCC(C)C(Cl)C1.
What is the InChIKey of 2-chloro-4-ethyl-1-methylcyclohexane?
The InChIKey is MBHYRQYCGGBRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-3-8-5-4-7(2)9(10)6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-ethyl-1-methylcyclohexane?
2-chloro-4-ethyl-1-methylcyclohexane has a molecular weight of 160.69 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-methylcyclohexane is sourced from PubChem (CID 89207092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).