2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane

C11H16O — CID 130002937

IUPAC2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane
SMILESCC1(C)C2CC=C(C3CO3)C1C2
InChIInChI=1S/C11H16O/c1-11(2)7-3-4-8(9(11)5-7)10-6-12-10/h4,7,9-10H,3,5-6H2,1-2H3
InChIKeySGSCQNLCCPMGQT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.38
Rot. Bonds1

About 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane

2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane (PubChem CID 130002937) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane.

Molecular Properties

Compound Name2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane
PubChem CID130002937
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane
SMILESCC1(C)C2CC=C(C3CO3)C1C2
InChIInChI=1S/C11H16O/c1-11(2)7-3-4-8(9(11)5-7)10-6-12-10/h4,7,9-10H,3,5-6H2,1-2H3
InChIKeySGSCQNLCCPMGQT-UHFFFAOYSA-N
XLogP2.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Myrtenyl methyl ether
CID 15775107
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bicyclo[3.1.1]hept-3-ene, 4,6,6-trimethyl-2-vinyloxy-
CID 564389
2-(2-Methoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 12547710
6,6-Dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
CID 15410424
Bicyclo[3.1.1]hept-2-ene, 4-ethoxy-2,6,6-trimethyl-
CID 567757
2-(2-Ethoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 15410423
7,11,11-Trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene
CID 163038244
(1S,3S,5R,6E,10R)-7,11,11-trimethyl-2-methylidene-4-oxatricyclo[8.2.0.03,5]dodec-6-ene
CID 163038245
p-Menthadiene monoxide
CID 15601945
(1S,6R)-6-Methyl-3-(1-methylethyl)-7-oxabicyclo(4.1.0)hept-2-ene
CID 15601946
Verbenyl propyl ether
CID 575081

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane?
The IUPAC name of 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane (CID 130002937) is 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane.
What is the SMILES notation for 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane?
The canonical SMILES for 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane is CC1(C)C2CC=C(C3CO3)C1C2.
What is the InChIKey of 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane?
The InChIKey is SGSCQNLCCPMGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-11(2)7-3-4-8(9(11)5-7)10-6-12-10/h4,7,9-10H,3,5-6H2,1-2H3.
What are the key properties of 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane?
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane has a molecular weight of 164.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxirane is sourced from PubChem (CID 130002937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).