1,2,3,3,4,4-hexamethylcyclohexene

C12H22 — CID 154385864

IUPAC1,2,3,3,4,4-hexamethylcyclohexene
SMILESCC1=C(C)C(C)(C)C(C)(C)CC1
InChIInChI=1S/C12H22/c1-9-7-8-11(3,4)12(5,6)10(9)2/h7-8H2,1-6H3
InChIKeyBPHGDXGCSLIADH-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds

About 1,2,3,3,4,4-hexamethylcyclohexene

1,2,3,3,4,4-hexamethylcyclohexene (PubChem CID 154385864) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,3,3,4,4-hexamethylcyclohexene.

Molecular Properties

Compound Name1,2,3,3,4,4-hexamethylcyclohexene
PubChem CID154385864
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,3,3,4,4-hexamethylcyclohexene
SMILESCC1=C(C)C(C)(C)C(C)(C)CC1
InChIInChI=1S/C12H22/c1-9-7-8-11(3,4)12(5,6)10(9)2/h7-8H2,1-6H3
InChIKeyBPHGDXGCSLIADH-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

Elemene
CID 12309449
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Trichodiene
CID 114857
gamma-HIMACHALENE
CID 577062
beta-Himachalene
CID 11586487
Bazzanene
CID 179421
delta-Elemene
CID 145925530
1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene
CID 24278
Cyclohexene, 1-(1,1-dimethylethyl)-
CID 137926
3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo(7)annulene
CID 15095
Isobazzanene
CID 14830703
Pseudowiddrene
CID 15409431

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4-hexamethylcyclohexene?
The IUPAC name of 1,2,3,3,4,4-hexamethylcyclohexene (CID 154385864) is 1,2,3,3,4,4-hexamethylcyclohexene.
What is the SMILES notation for 1,2,3,3,4,4-hexamethylcyclohexene?
The canonical SMILES for 1,2,3,3,4,4-hexamethylcyclohexene is CC1=C(C)C(C)(C)C(C)(C)CC1.
What is the InChIKey of 1,2,3,3,4,4-hexamethylcyclohexene?
The InChIKey is BPHGDXGCSLIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-7-8-11(3,4)12(5,6)10(9)2/h7-8H2,1-6H3.
What are the key properties of 1,2,3,3,4,4-hexamethylcyclohexene?
1,2,3,3,4,4-hexamethylcyclohexene has a molecular weight of 166.31 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4-hexamethylcyclohexene is sourced from PubChem (CID 154385864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).