4,4-dimethylcyclohexene

C8H14 — CID 26445

IUPAC4,4-dimethylcyclohexene
SMILESCC1(C)CC=CCC1
InChIInChI=1S/C8H14/c1-8(2)6-4-3-5-7-8/h3-4H,5-7H2,1-2H3
InChIKeyDRORSPJLYCDESA-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds

About 4,4-dimethylcyclohexene

4,4-dimethylcyclohexene (PubChem CID 26445) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 4,4-dimethylcyclohexene.

Molecular Properties

Compound Name4,4-dimethylcyclohexene
PubChem CID26445
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name4,4-dimethylcyclohexene
SMILESCC1(C)CC=CCC1
InChIInChI=1S/C8H14/c1-8(2)6-4-3-5-7-8/h3-4H,5-7H2,1-2H3
InChIKeyDRORSPJLYCDESA-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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 4,4-dimethylcyclohexene?
The IUPAC name of 4,4-dimethylcyclohexene (CID 26445) is 4,4-dimethylcyclohexene.
What is the SMILES notation for 4,4-dimethylcyclohexene?
The canonical SMILES for 4,4-dimethylcyclohexene is CC1(C)CC=CCC1.
What is the InChIKey of 4,4-dimethylcyclohexene?
The InChIKey is DRORSPJLYCDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-8(2)6-4-3-5-7-8/h3-4H,5-7H2,1-2H3.
What are the key properties of 4,4-dimethylcyclohexene?
4,4-dimethylcyclohexene has a molecular weight of 110.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylcyclohexene is sourced from PubChem (CID 26445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).