4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane

C10H16O — CID 101409164

IUPAC4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C1CCC2(C(C)C)OC2C1
InChIInChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3
InChIKeyITEDXWDCHPDNGM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds1

About 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane

4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 101409164) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID101409164
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C1CCC2(C(C)C)OC2C1
InChIInChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3
InChIKeyITEDXWDCHPDNGM-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane (CID 101409164) is 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane is C=C1CCC2(C(C)C)OC2C1.
What is the InChIKey of 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is ITEDXWDCHPDNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 101409164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).