1,2,3,3,6,6-hexamethylcyclohexene

C12H22 — CID 13113738

IUPAC1,2,3,3,6,6-hexamethylcyclohexene
SMILESCC1=C(C)C(C)(C)CCC1(C)C
InChIInChI=1S/C12H22/c1-9-10(2)12(5,6)8-7-11(9,3)4/h7-8H2,1-6H3
InChIKeyVEGCBNUSBMHDHZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds

About 1,2,3,3,6,6-hexamethylcyclohexene

1,2,3,3,6,6-hexamethylcyclohexene (PubChem CID 13113738) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,3,3,6,6-hexamethylcyclohexene.

Molecular Properties

Compound Name1,2,3,3,6,6-hexamethylcyclohexene
PubChem CID13113738
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,3,3,6,6-hexamethylcyclohexene
SMILESCC1=C(C)C(C)(C)CCC1(C)C
InChIInChI=1S/C12H22/c1-9-10(2)12(5,6)8-7-11(9,3)4/h7-8H2,1-6H3
InChIKeyVEGCBNUSBMHDHZ-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,6,6-hexamethylcyclohexene?
The IUPAC name of 1,2,3,3,6,6-hexamethylcyclohexene (CID 13113738) is 1,2,3,3,6,6-hexamethylcyclohexene.
What is the SMILES notation for 1,2,3,3,6,6-hexamethylcyclohexene?
The canonical SMILES for 1,2,3,3,6,6-hexamethylcyclohexene is CC1=C(C)C(C)(C)CCC1(C)C.
What is the InChIKey of 1,2,3,3,6,6-hexamethylcyclohexene?
The InChIKey is VEGCBNUSBMHDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-10(2)12(5,6)8-7-11(9,3)4/h7-8H2,1-6H3.
What are the key properties of 1,2,3,3,6,6-hexamethylcyclohexene?
1,2,3,3,6,6-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 1,2,3,3,6,6-hexamethylcyclohexene is sourced from PubChem (CID 13113738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).