1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide

C12H23I — CID 158511042

IUPAC1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide
SMILESCC1=C(C)C(C)(C)C(C)C(C)C1.I
InChIInChI=1S/C12H22.HI/c1-8-7-9(2)11(4)12(5,6)10(8)3;/h8,10H,7H2,1-6H3;1H
InChIKeyVUKBNOWBOGEXTE-UHFFFAOYSA-N
MW294.22 g/mol
LogP4.64
Rot. Bonds

About 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide

1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide (PubChem CID 158511042) has the molecular formula C12H23I and a molecular weight of 294.22 g/mol. Its IUPAC name is 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide.

Molecular Properties

Compound Name1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide
PubChem CID158511042
Molecular FormulaC12H23I
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide
SMILESCC1=C(C)C(C)(C)C(C)C(C)C1.I
InChIInChI=1S/C12H22.HI/c1-8-7-9(2)11(4)12(5,6)10(8)3;/h8,10H,7H2,1-6H3;1H
InChIKeyVUKBNOWBOGEXTE-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide?
The IUPAC name of 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide (CID 158511042) is 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide.
What is the SMILES notation for 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide?
The canonical SMILES for 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide is CC1=C(C)C(C)(C)C(C)C(C)C1.I.
What is the InChIKey of 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide?
The InChIKey is VUKBNOWBOGEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.HI/c1-8-7-9(2)11(4)12(5,6)10(8)3;/h8,10H,7H2,1-6H3;1H.
What are the key properties of 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide?
1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide has a molecular weight of 294.22 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,5-hexamethylcyclohexene;hydroiodide is sourced from PubChem (CID 158511042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).