(3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

C10H16O — CID 11217353

IUPAC(3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)[C@@H]1CCC2OC2(C)C1
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-9-10(3,6-8)11-9/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1
InChIKeyCENTVGAYZSECSB-XNWIYYODSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds1

About (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

(3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 11217353) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID11217353
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)[C@@H]1CCC2OC2(C)C1
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-9-10(3,6-8)11-9/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1
InChIKeyCENTVGAYZSECSB-XNWIYYODSA-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'}

Analyze (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (CID 11217353) is (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is C=C(C)[C@@H]1CCC2OC2(C)C1.
What is the InChIKey of (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is CENTVGAYZSECSB-XNWIYYODSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)8-4-5-9-10(3,6-8)11-9/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
(3R)-1-methyl-3-prop-1-en-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 (3R)-1-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 11217353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).