1,1-diethyl-3,5-dimethylcyclohexane

C12H24 — CID 91010762

IUPAC1,1-diethyl-3,5-dimethylcyclohexane
SMILESCCC1(CC)CC(C)CC(C)C1
InChIInChI=1S/C12H24/c1-5-12(6-2)8-10(3)7-11(4)9-12/h10-11H,5-9H2,1-4H3
InChIKeyDIKGCGXLOWHFPK-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds2

About 1,1-diethyl-3,5-dimethylcyclohexane

1,1-diethyl-3,5-dimethylcyclohexane (PubChem CID 91010762) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,1-diethyl-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1,1-diethyl-3,5-dimethylcyclohexane
PubChem CID91010762
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,1-diethyl-3,5-dimethylcyclohexane
SMILESCCC1(CC)CC(C)CC(C)C1
InChIInChI=1S/C12H24/c1-5-12(6-2)8-10(3)7-11(4)9-12/h10-11H,5-9H2,1-4H3
InChIKeyDIKGCGXLOWHFPK-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
1-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752832
1,1-diethyl-3-methylcyclohexane
CID 19090157
N-[(1-ethyl-3-methylcyclobutyl)methyl]-N-methylethanamine
CID 143174060
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
3-(2-cyanoethyl)-3-ethyl-5-methylcyclohexane-1-carbonitrile
CID 167259100

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3,5-dimethylcyclohexane?
The IUPAC name of 1,1-diethyl-3,5-dimethylcyclohexane (CID 91010762) is 1,1-diethyl-3,5-dimethylcyclohexane.
What is the SMILES notation for 1,1-diethyl-3,5-dimethylcyclohexane?
The canonical SMILES for 1,1-diethyl-3,5-dimethylcyclohexane is CCC1(CC)CC(C)CC(C)C1.
What is the InChIKey of 1,1-diethyl-3,5-dimethylcyclohexane?
The InChIKey is DIKGCGXLOWHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-12(6-2)8-10(3)7-11(4)9-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1-diethyl-3,5-dimethylcyclohexane?
1,1-diethyl-3,5-dimethylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3,5-dimethylcyclohexane is sourced from PubChem (CID 91010762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).