1,3-diethyl-1,2-dimethylcyclohexane

C12H24 — CID 123496519

IUPAC1,3-diethyl-1,2-dimethylcyclohexane
SMILESCCC1CCCC(C)(CC)C1C
InChIInChI=1S/C12H24/c1-5-11-8-7-9-12(4,6-2)10(11)3/h10-11H,5-9H2,1-4H3
InChIKeyLGBKVJDRMRAKCS-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds2

About 1,3-diethyl-1,2-dimethylcyclohexane

1,3-diethyl-1,2-dimethylcyclohexane (PubChem CID 123496519) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,3-diethyl-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name1,3-diethyl-1,2-dimethylcyclohexane
PubChem CID123496519
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,3-diethyl-1,2-dimethylcyclohexane
SMILESCCC1CCCC(C)(CC)C1C
InChIInChI=1S/C12H24/c1-5-11-8-7-9-12(4,6-2)10(11)3/h10-11H,5-9H2,1-4H3
InChIKeyLGBKVJDRMRAKCS-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

Analyze 1,3-diethyl-1,2-dimethylcyclohexane 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

ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
CID 176966698
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
1,1,3-triethyl-2-methylcyclopentane
CID 123903996
2-tert-butyl-1-ethyl-1-methylcyclopentane
CID 123149703
7,8-diethyl-1,1-dimethylcyclotridecane
CID 123809995
1-(2-ethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64754170
CID 160611346
CID 160611346
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
ethane;2-ethyl-2,6-dimethylpiperidine
CID 143770628
2,4-diethyl-2-methylbicyclo[3.2.0]heptane
CID 163795168
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,2-dimethylcyclohexane?
The IUPAC name of 1,3-diethyl-1,2-dimethylcyclohexane (CID 123496519) is 1,3-diethyl-1,2-dimethylcyclohexane.
What is the SMILES notation for 1,3-diethyl-1,2-dimethylcyclohexane?
The canonical SMILES for 1,3-diethyl-1,2-dimethylcyclohexane is CCC1CCCC(C)(CC)C1C.
What is the InChIKey of 1,3-diethyl-1,2-dimethylcyclohexane?
The InChIKey is LGBKVJDRMRAKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-11-8-7-9-12(4,6-2)10(11)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,3-diethyl-1,2-dimethylcyclohexane?
1,3-diethyl-1,2-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 1,3-diethyl-1,2-dimethylcyclohexane is sourced from PubChem (CID 123496519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).