1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene

C10H16O — CID 15390028

IUPAC1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene
SMILESCC1(C)CC=CC2(C)OC12C
InChIInChI=1S/C10H16O/c1-8(2)6-5-7-9(3)10(8,4)11-9/h5,7H,6H2,1-4H3
InChIKeyWFJFAXHLNIMAQO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene

1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 15390028) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID15390028
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene
SMILESCC1(C)CC=CC2(C)OC12C
InChIInChI=1S/C10H16O/c1-8(2)6-5-7-9(3)10(8,4)11-9/h5,7H,6H2,1-4H3
InChIKeyWFJFAXHLNIMAQO-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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

4,8,8-Trimethyl-1-oxaspiro[2.5]oct-4-ene
CID 11768771
4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]hept-4-en-1-yl)but-3-en-2-one
CID 154391684
(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
CID 642953
6-(1,3-Dimethyl-buta-1,3-dienyl)-1,5,5-trimethyl-7-oxa-bicyclo[4.1.0]hept-2-ene
CID 5370850
4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]hept-4-en-1-yl)pent-3-en-2-one
CID 5372302
(6R)-6-butyl-6-tert-butyl-2,3-dihydropyran
CID 101414728
(6R)-6-butyl-2,2,6-trimethyl-3H-pyran
CID 101414729
2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane
CID 22768307
2,3-Diethyl-2,3-bis(prop-1-enyl)oxirane
CID 53740856
6-Ethenyl-5,5-dimethyl-7-oxabicyclo[4.1.0]hept-2-ene
CID 53767125
2,3-Ditert-butyl-6,6-dimethyl-2,3-dihydropyran
CID 59205490
1-Ethenyl-6-ethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 87319658

Frequently Asked Questions

What is the IUPAC name of 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene (CID 15390028) is 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene is CC1(C)CC=CC2(C)OC12C.
What is the InChIKey of 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is WFJFAXHLNIMAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)6-5-7-9(3)10(8,4)11-9/h5,7H,6H2,1-4H3.
What are the key properties of 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene?
1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 15390028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).