4,5-diethyl-3,6-dimethylcyclohexene

C12H22 — CID 59982962

IUPAC4,5-diethyl-3,6-dimethylcyclohexene
SMILESCCC1C(C)C=CC(C)C1CC
InChIInChI=1S/C12H22/c1-5-11-9(3)7-8-10(4)12(11)6-2/h7-12H,5-6H2,1-4H3
InChIKeyYYHJHQITSBAZHO-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.88
Rot. Bonds2

About 4,5-diethyl-3,6-dimethylcyclohexene

4,5-diethyl-3,6-dimethylcyclohexene (PubChem CID 59982962) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4,5-diethyl-3,6-dimethylcyclohexene.

Molecular Properties

Compound Name4,5-diethyl-3,6-dimethylcyclohexene
PubChem CID59982962
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4,5-diethyl-3,6-dimethylcyclohexene
SMILESCCC1C(C)C=CC(C)C1CC
InChIInChI=1S/C12H22/c1-5-11-9(3)7-8-10(4)12(11)6-2/h7-12H,5-6H2,1-4H3
InChIKeyYYHJHQITSBAZHO-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
CID 89393198
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
6-ethyl-3,4-dimethylcyclohexene
CID 123723236
(7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
CID 71112542
1-ethyl-2-[2-(2-ethyl-3-methylcyclopropyl)ethyl]-3-methylcyclopropane
CID 90777753
4-ethyl-5-fluoro-1,3-dimethylcyclopentene
CID 142867206
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
2-ethyl-1,3-dimethylcyclobutane;yttrium
CID 59776218
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 130985593

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3,6-dimethylcyclohexene?
The IUPAC name of 4,5-diethyl-3,6-dimethylcyclohexene (CID 59982962) is 4,5-diethyl-3,6-dimethylcyclohexene.
What is the SMILES notation for 4,5-diethyl-3,6-dimethylcyclohexene?
The canonical SMILES for 4,5-diethyl-3,6-dimethylcyclohexene is CCC1C(C)C=CC(C)C1CC.
What is the InChIKey of 4,5-diethyl-3,6-dimethylcyclohexene?
The InChIKey is YYHJHQITSBAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-11-9(3)7-8-10(4)12(11)6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of 4,5-diethyl-3,6-dimethylcyclohexene?
4,5-diethyl-3,6-dimethylcyclohexene has a molecular weight of 166.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3,6-dimethylcyclohexene is sourced from PubChem (CID 59982962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).