1,2-diethyl-4,5-dimethylcyclohexene

C12H22 — CID 74022411

IUPAC1,2-diethyl-4,5-dimethylcyclohexene
SMILESCCC1=C(CC)CC(C)C(C)C1
InChIInChI=1S/C12H22/c1-5-11-7-9(3)10(4)8-12(11)6-2/h9-10H,5-8H2,1-4H3
InChIKeyXUMONOAZCBOGJX-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds2

About 1,2-diethyl-4,5-dimethylcyclohexene

1,2-diethyl-4,5-dimethylcyclohexene (PubChem CID 74022411) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2-diethyl-4,5-dimethylcyclohexene.

Molecular Properties

Compound Name1,2-diethyl-4,5-dimethylcyclohexene
PubChem CID74022411
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2-diethyl-4,5-dimethylcyclohexene
SMILESCCC1=C(CC)CC(C)C(C)C1
InChIInChI=1S/C12H22/c1-5-11-7-9(3)10(4)8-12(11)6-2/h9-10H,5-8H2,1-4H3
InChIKeyXUMONOAZCBOGJX-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

delta-Cadinene
CID 441005
Beta-Bisabolene
CID 10104370
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
p-Menth-1-ene
CID 21671
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
beta-Terpinene
CID 66841
(+)-p-Menth-1-ene
CID 70954
(-)-delta-Cadinene
CID 12306055
alpha-Cadinene, (+)-
CID 12306048
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
CID 10223
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4,5-dimethylcyclohexene?
The IUPAC name of 1,2-diethyl-4,5-dimethylcyclohexene (CID 74022411) is 1,2-diethyl-4,5-dimethylcyclohexene.
What is the SMILES notation for 1,2-diethyl-4,5-dimethylcyclohexene?
The canonical SMILES for 1,2-diethyl-4,5-dimethylcyclohexene is CCC1=C(CC)CC(C)C(C)C1.
What is the InChIKey of 1,2-diethyl-4,5-dimethylcyclohexene?
The InChIKey is XUMONOAZCBOGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-11-7-9(3)10(4)8-12(11)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,2-diethyl-4,5-dimethylcyclohexene?
1,2-diethyl-4,5-dimethylcyclohexene has a molecular weight of 166.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4,5-dimethylcyclohexene is sourced from PubChem (CID 74022411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).