6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene

C10H16O — CID 175762827

IUPAC6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESCC(C)C1=C2OC2(C)CCC1
InChIInChI=1S/C10H16O/c1-7(2)8-5-4-6-10(3)9(8)11-10/h7H,4-6H2,1-3H3
InChIKeyWQAXLLMJKLUCRB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.87
Rot. Bonds1

About 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene

6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene (PubChem CID 175762827) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene
PubChem CID175762827
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESCC(C)C1=C2OC2(C)CCC1
InChIInChI=1S/C10H16O/c1-7(2)8-5-4-6-10(3)9(8)11-10/h7H,4-6H2,1-3H3
InChIKeyWQAXLLMJKLUCRB-UHFFFAOYSA-N
XLogP2.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene?
The IUPAC name of 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene (CID 175762827) is 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene is CC(C)C1=C2OC2(C)CCC1.
What is the InChIKey of 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene?
The InChIKey is WQAXLLMJKLUCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)8-5-4-6-10(3)9(8)11-10/h7H,4-6H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene?
6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene has a molecular weight of 152.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 175762827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).