2,6,6-trimethylbicyclo[2.2.0]hex-2-ene

C9H14 — CID 123178278

IUPAC2,6,6-trimethylbicyclo[2.2.0]hex-2-ene
SMILESCC1=CC2CC(C)(C)C12
InChIInChI=1S/C9H14/c1-6-4-7-5-9(2,3)8(6)7/h4,7-8H,5H2,1-3H3
InChIKeyJDWAZWVMSFXHNZ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds

About 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene

2,6,6-trimethylbicyclo[2.2.0]hex-2-ene (PubChem CID 123178278) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene.

Molecular Properties

Compound Name2,6,6-trimethylbicyclo[2.2.0]hex-2-ene
PubChem CID123178278
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,6,6-trimethylbicyclo[2.2.0]hex-2-ene
SMILESCC1=CC2CC(C)(C)C12
InChIInChI=1S/C9H14/c1-6-4-7-5-9(2,3)8(6)7/h4,7-8H,5H2,1-3H3
InChIKeyJDWAZWVMSFXHNZ-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 85299248
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1R,2S,6R,7R)-8-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 165341396
8-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3612321
9,9,10-trimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 75168772
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
5-methoxy-4,7,7-trimethylcyclohept-3-ene-1,2-diol
CID 22922327
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
5-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)cyclohexa-1,5-diene-1-carbonitrile
CID 14992018
1,3,9-trimethyltricyclo[5.3.1.03,8]undeca-5,9-dien-2-one
CID 54223543
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
(1R,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 130891185

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene?
The IUPAC name of 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene (CID 123178278) is 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene.
What is the SMILES notation for 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene?
The canonical SMILES for 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene is CC1=CC2CC(C)(C)C12.
What is the InChIKey of 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene?
The InChIKey is JDWAZWVMSFXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-4-7-5-9(2,3)8(6)7/h4,7-8H,5H2,1-3H3.
What are the key properties of 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene?
2,6,6-trimethylbicyclo[2.2.0]hex-2-ene has a molecular weight of 122.21 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylbicyclo[2.2.0]hex-2-ene is sourced from PubChem (CID 123178278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).