3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane

C11H18O — CID 89105409

IUPAC3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=CC(CC)C1CCC2OC2C1
InChIInChI=1S/C11H18O/c1-3-8(4-2)9-5-6-10-11(7-9)12-10/h3,8-11H,1,4-7H2,2H3
InChIKeyBEXMTHRAJWGVMI-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds3

About 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane

3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 89105409) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID89105409
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=CC(CC)C1CCC2OC2C1
InChIInChI=1S/C11H18O/c1-3-8(4-2)9-5-6-10-11(7-9)12-10/h3,8-11H,1,4-7H2,2H3
InChIKeyBEXMTHRAJWGVMI-UHFFFAOYSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
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 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane (CID 89105409) is 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane is C=CC(CC)C1CCC2OC2C1.
What is the InChIKey of 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is BEXMTHRAJWGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-8(4-2)9-5-6-10-11(7-9)12-10/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane?
3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-en-3-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89105409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).