2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

C10H16O — CID 24753650

IUPAC2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)C1CCC(C)C2OC12
InChIInChI=1S/C10H16O/c1-6(2)8-5-4-7(3)9-10(8)11-9/h7-10H,1,4-5H2,2-3H3
InChIKeyDWXXWGZHFIVQBK-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds1

About 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 24753650) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID24753650
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)C1CCC(C)C2OC12
InChIInChI=1S/C10H16O/c1-6(2)8-5-4-7(3)9-10(8)11-9/h7-10H,1,4-5H2,2-3H3
InChIKeyDWXXWGZHFIVQBK-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (CID 24753650) is 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is C=C(C)C1CCC(C)C2OC12.
What is the InChIKey of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is DWXXWGZHFIVQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6(2)8-5-4-7(3)9-10(8)11-9/h7-10H,1,4-5H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.24 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-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 24753650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).