1,1-diethyl-3-methylcyclohexane

C11H22 — CID 19090157

IUPAC1,1-diethyl-3-methylcyclohexane
SMILESCCC1(CC)CCCC(C)C1
InChIInChI=1S/C11H22/c1-4-11(5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyCALGETZHXZAWAT-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds2

About 1,1-diethyl-3-methylcyclohexane

1,1-diethyl-3-methylcyclohexane (PubChem CID 19090157) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,1-diethyl-3-methylcyclohexane.

Molecular Properties

Compound Name1,1-diethyl-3-methylcyclohexane
PubChem CID19090157
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,1-diethyl-3-methylcyclohexane
SMILESCCC1(CC)CCCC(C)C1
InChIInChI=1S/C11H22/c1-4-11(5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyCALGETZHXZAWAT-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-diethyl-3-methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
CID 145106735
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
ethane;1-(1-ethyl-3-methylcyclopentyl)-N-methylmethanamine
CID 144836512

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-methylcyclohexane?
The IUPAC name of 1,1-diethyl-3-methylcyclohexane (CID 19090157) is 1,1-diethyl-3-methylcyclohexane.
What is the SMILES notation for 1,1-diethyl-3-methylcyclohexane?
The canonical SMILES for 1,1-diethyl-3-methylcyclohexane is CCC1(CC)CCCC(C)C1.
What is the InChIKey of 1,1-diethyl-3-methylcyclohexane?
The InChIKey is CALGETZHXZAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-11(5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3.
What are the key properties of 1,1-diethyl-3-methylcyclohexane?
1,1-diethyl-3-methylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methylcyclohexane is sourced from PubChem (CID 19090157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).