1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene

C10H16O — CID 10773160

IUPAC1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)CC2(C)OC2(C)C1
InChIInChI=1S/C10H16O/c1-7-5-9(3)10(4,11-9)6-8(7)2/h5-6H2,1-4H3
InChIKeyBFJCATWAJKZIGV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds

About 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene

1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 10773160) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID10773160
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)CC2(C)OC2(C)C1
InChIInChI=1S/C10H16O/c1-7-5-9(3)10(4,11-9)6-8(7)2/h5-6H2,1-4H3
InChIKeyBFJCATWAJKZIGV-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene (CID 10773160) is 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene is CC1=C(C)CC2(C)OC2(C)C1.
What is the InChIKey of 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is BFJCATWAJKZIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-9(3)10(4,11-9)6-8(7)2/h5-6H2,1-4H3.
What are the key properties of 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene?
1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 152.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethyl-7-oxabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 10773160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).