1-ethenyl-5,5-dimethylcyclohexene

C10H16 — CID 86107989

IUPAC1-ethenyl-5,5-dimethylcyclohexene
SMILESC=CC1=CCCC(C)(C)C1
InChIInChI=1S/C10H16/c1-4-9-6-5-7-10(2,3)8-9/h4,6H,1,5,7-8H2,2-3H3
InChIKeyAGTRGSKCTHFNDR-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds1

About 1-ethenyl-5,5-dimethylcyclohexene

1-ethenyl-5,5-dimethylcyclohexene (PubChem CID 86107989) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-ethenyl-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name1-ethenyl-5,5-dimethylcyclohexene
PubChem CID86107989
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-ethenyl-5,5-dimethylcyclohexene
SMILESC=CC1=CCCC(C)(C)C1
InChIInChI=1S/C10H16/c1-4-9-6-5-7-10(2,3)8-9/h4,6H,1,5,7-8H2,2-3H3
InChIKeyAGTRGSKCTHFNDR-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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Related Compounds

Beta-Carotene
CID 5280489
Beta-Phellandrene
CID 11142
Elemene
CID 12309449
Torulene
CID 5281253
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Axerophthene
CID 5287722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
(-)-beta-Phellandrene
CID 443161
Sesquiphellandrene
CID 519764
Isoterpinolene
CID 102443
delta-Selinene
CID 520383
gamma-Carotene
CID 5280791

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5,5-dimethylcyclohexene?
The IUPAC name of 1-ethenyl-5,5-dimethylcyclohexene (CID 86107989) is 1-ethenyl-5,5-dimethylcyclohexene.
What is the SMILES notation for 1-ethenyl-5,5-dimethylcyclohexene?
The canonical SMILES for 1-ethenyl-5,5-dimethylcyclohexene is C=CC1=CCCC(C)(C)C1.
What is the InChIKey of 1-ethenyl-5,5-dimethylcyclohexene?
The InChIKey is AGTRGSKCTHFNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-9-6-5-7-10(2,3)8-9/h4,6H,1,5,7-8H2,2-3H3.
What are the key properties of 1-ethenyl-5,5-dimethylcyclohexene?
1-ethenyl-5,5-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-5,5-dimethylcyclohexene is sourced from PubChem (CID 86107989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).