3,3,4,4,5,5-hexamethylcyclohexene

C12H22 — CID 91373510

IUPAC3,3,4,4,5,5-hexamethylcyclohexene
SMILESCC1(C)C=CCC(C)(C)C1(C)C
InChIInChI=1S/C12H22/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-8H,9H2,1-6H3
InChIKeyUHBPBGYNIPAZFJ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds

About 3,3,4,4,5,5-hexamethylcyclohexene

3,3,4,4,5,5-hexamethylcyclohexene (PubChem CID 91373510) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexamethylcyclohexene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexamethylcyclohexene
PubChem CID91373510
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3,3,4,4,5,5-hexamethylcyclohexene
SMILESCC1(C)C=CCC(C)(C)C1(C)C
InChIInChI=1S/C12H22/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-8H,9H2,1-6H3
InChIKeyUHBPBGYNIPAZFJ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexamethylcyclohexene?
The IUPAC name of 3,3,4,4,5,5-hexamethylcyclohexene (CID 91373510) is 3,3,4,4,5,5-hexamethylcyclohexene.
What is the SMILES notation for 3,3,4,4,5,5-hexamethylcyclohexene?
The canonical SMILES for 3,3,4,4,5,5-hexamethylcyclohexene is CC1(C)C=CCC(C)(C)C1(C)C.
What is the InChIKey of 3,3,4,4,5,5-hexamethylcyclohexene?
The InChIKey is UHBPBGYNIPAZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-8H,9H2,1-6H3.
What are the key properties of 3,3,4,4,5,5-hexamethylcyclohexene?
3,3,4,4,5,5-hexamethylcyclohexene has a molecular weight of 166.31 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexamethylcyclohexene is sourced from PubChem (CID 91373510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).