1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane

C9H14O — CID 12931506

IUPAC1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CCC12CCCCC1O2
InChIInChI=1S/C9H14O/c1-2-6-9-7-4-3-5-8(9)10-9/h2,8H,1,3-7H2
InChIKeyHAVGXMHUTCOPKY-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds2

About 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane

1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 12931506) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
PubChem CID12931506
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
SMILESC=CCC12CCCCC1O2
InChIInChI=1S/C9H14O/c1-2-6-9-7-4-3-5-8(9)10-9/h2,8H,1,3-7H2
InChIKeyHAVGXMHUTCOPKY-UHFFFAOYSA-N
XLogP2.27
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
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 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane (CID 12931506) is 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane is C=CCC12CCCCC1O2.
What is the InChIKey of 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is HAVGXMHUTCOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-6-9-7-4-3-5-8(9)10-9/h2,8H,1,3-7H2.
What are the key properties of 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane?
1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 138.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 12931506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).