(1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane

C9H12O — CID 134854647

IUPAC(1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane
SMILESCC#C[C@]12CCCCC1O2
InChIInChI=1S/C9H12O/c1-2-6-9-7-4-3-5-8(9)10-9/h8H,3-5,7H2,1H3/t8?,9-/m0/s1
InChIKeyBVICYJKJWMXMLY-GKAPJAKFSA-N
MW136.19 g/mol
LogP1.72
Rot. Bonds

About (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane

(1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 134854647) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane
PubChem CID134854647
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane
SMILESCC#C[C@]12CCCCC1O2
InChIInChI=1S/C9H12O/c1-2-6-9-7-4-3-5-8(9)10-9/h8H,3-5,7H2,1H3/t8?,9-/m0/s1
InChIKeyBVICYJKJWMXMLY-GKAPJAKFSA-N
XLogP1.72
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-prop-1-ynyl-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 (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane (CID 134854647) is (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane is CC#C[C@]12CCCCC1O2.
What is the InChIKey of (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is BVICYJKJWMXMLY-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H12O/c1-2-6-9-7-4-3-5-8(9)10-9/h8H,3-5,7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane?
(1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 136.19 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 134854647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).