5-chloro-2-ethyl-1,3-dimethylcyclohexane

C10H19Cl — CID 163493383

IUPAC5-chloro-2-ethyl-1,3-dimethylcyclohexane
SMILESCCC1C(C)CC(Cl)CC1C
InChIInChI=1S/C10H19Cl/c1-4-10-7(2)5-9(11)6-8(10)3/h7-10H,4-6H2,1-3H3
InChIKeyCONHFWANTWDZFG-UHFFFAOYSA-N
MW174.71 g/mol
LogP3.69
Rot. Bonds1

About 5-chloro-2-ethyl-1,3-dimethylcyclohexane

5-chloro-2-ethyl-1,3-dimethylcyclohexane (PubChem CID 163493383) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 5-chloro-2-ethyl-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name5-chloro-2-ethyl-1,3-dimethylcyclohexane
PubChem CID163493383
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name5-chloro-2-ethyl-1,3-dimethylcyclohexane
SMILESCCC1C(C)CC(Cl)CC1C
InChIInChI=1S/C10H19Cl/c1-4-10-7(2)5-9(11)6-8(10)3/h7-10H,4-6H2,1-3H3
InChIKeyCONHFWANTWDZFG-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.69
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

1-chloro-3-ethylcyclobutane
CID 57207865
(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane
CID 58644913
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
4-ethyl-3,5-dimethyloxane
CID 91432465
1,3-diethyl-4-methyl-2-propylcyclopentane
CID 143310394
trans-(1R,2R)-1-chloro-2-methylcyclopropane
CID 57480697
cis-(1S,2R)-1-chloro-2-methylcyclopropane
CID 130909377
1,2-dimethylcyclopropane;propane
CID 143337919
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162292687
3-ethyl-4,6-dimethylpiperidin-2-ol
CID 123221816
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-1,3-dimethylcyclohexane?
The IUPAC name of 5-chloro-2-ethyl-1,3-dimethylcyclohexane (CID 163493383) is 5-chloro-2-ethyl-1,3-dimethylcyclohexane.
What is the SMILES notation for 5-chloro-2-ethyl-1,3-dimethylcyclohexane?
The canonical SMILES for 5-chloro-2-ethyl-1,3-dimethylcyclohexane is CCC1C(C)CC(Cl)CC1C.
What is the InChIKey of 5-chloro-2-ethyl-1,3-dimethylcyclohexane?
The InChIKey is CONHFWANTWDZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-4-10-7(2)5-9(11)6-8(10)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-chloro-2-ethyl-1,3-dimethylcyclohexane?
5-chloro-2-ethyl-1,3-dimethylcyclohexane has a molecular weight of 174.71 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-1,3-dimethylcyclohexane is sourced from PubChem (CID 163493383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).