1-ethenyl-4,4-dimethylcyclohexene

C10H16 — CID 119094040

IUPAC1-ethenyl-4,4-dimethylcyclohexene
SMILESC=CC1=CCC(C)(C)CC1
InChIInChI=1S/C10H16/c1-4-9-5-7-10(2,3)8-6-9/h4-5H,1,6-8H2,2-3H3
InChIKeyQJFYCLCBQYWTGA-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds1

About 1-ethenyl-4,4-dimethylcyclohexene

1-ethenyl-4,4-dimethylcyclohexene (PubChem CID 119094040) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-ethenyl-4,4-dimethylcyclohexene.

Molecular Properties

Compound Name1-ethenyl-4,4-dimethylcyclohexene
PubChem CID119094040
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-ethenyl-4,4-dimethylcyclohexene
SMILESC=CC1=CCC(C)(C)CC1
InChIInChI=1S/C10H16/c1-4-9-5-7-10(2,3)8-6-9/h4-5H,1,6-8H2,2-3H3
InChIKeyQJFYCLCBQYWTGA-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4,4-dimethylcyclohexene?
The IUPAC name of 1-ethenyl-4,4-dimethylcyclohexene (CID 119094040) is 1-ethenyl-4,4-dimethylcyclohexene.
What is the SMILES notation for 1-ethenyl-4,4-dimethylcyclohexene?
The canonical SMILES for 1-ethenyl-4,4-dimethylcyclohexene is C=CC1=CCC(C)(C)CC1.
What is the InChIKey of 1-ethenyl-4,4-dimethylcyclohexene?
The InChIKey is QJFYCLCBQYWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-9-5-7-10(2,3)8-6-9/h4-5H,1,6-8H2,2-3H3.
What are the key properties of 1-ethenyl-4,4-dimethylcyclohexene?
1-ethenyl-4,4-dimethylcyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4,4-dimethylcyclohexene is sourced from PubChem (CID 119094040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).