1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane

C13H26 — CID 166077246

IUPAC1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane
SMILESCCC1(C)CCCCC1(C)C(C)C
InChIInChI=1S/C13H26/c1-6-12(4)9-7-8-10-13(12,5)11(2)3/h11H,6-10H2,1-5H3
InChIKeyAUIKIAJJHSUPOX-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds2

About 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane

1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane (PubChem CID 166077246) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane
PubChem CID166077246
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane
SMILESCCC1(C)CCCCC1(C)C(C)C
InChIInChI=1S/C13H26/c1-6-12(4)9-7-8-10-13(12,5)11(2)3/h11H,6-10H2,1-5H3
InChIKeyAUIKIAJJHSUPOX-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-2-propan-2-ylazepane
CID 79117006
2,3-diethyl-2,3-dimethylazepane
CID 143907856
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
[2-methyl-1-(1-methylcyclohexyl)butyl]hydrazine
CID 106831313
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
[1-(1-ethylcyclopentyl)-2-methylpropyl]hydrazine
CID 105281723
4-ethyl-4-propan-2-yl-2-azaspiro[4.4]nonane
CID 134605127
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
CID 91393597
(1,2,2-trimethylcyclohexyl)methanediamine
CID 142614010
(2,2-diethyl-1-phosphanylcyclohexyl)phosphane
CID 174700066

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane?
The IUPAC name of 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane (CID 166077246) is 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane?
The canonical SMILES for 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane is CCC1(C)CCCCC1(C)C(C)C.
What is the InChIKey of 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane?
The InChIKey is AUIKIAJJHSUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-12(4)9-7-8-10-13(12,5)11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane?
1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 166077246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).