1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane

C12H20O — CID 14617715

IUPAC1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane
SMILESC=C(CCC)C12CCCCCC1O2
InChIInChI=1S/C12H20O/c1-3-7-10(2)12-9-6-4-5-8-11(12)13-12/h11H,2-9H2,1H3
InChIKeyFRIILSDQJDWPLI-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.44
Rot. Bonds3

About 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane

1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane (PubChem CID 14617715) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane.

Molecular Properties

Compound Name1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane
PubChem CID14617715
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane
SMILESC=C(CCC)C12CCCCCC1O2
InChIInChI=1S/C12H20O/c1-3-7-10(2)12-9-6-4-5-8-11(12)13-12/h11H,2-9H2,1H3
InChIKeyFRIILSDQJDWPLI-UHFFFAOYSA-N
XLogP3.44
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.44
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-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
The IUPAC name of 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane (CID 14617715) is 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane.
What is the SMILES notation for 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
The canonical SMILES for 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane is C=C(CCC)C12CCCCCC1O2.
What is the InChIKey of 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
The InChIKey is FRIILSDQJDWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-7-10(2)12-9-6-4-5-8-11(12)13-12/h11H,2-9H2,1H3.
What are the key properties of 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane has a molecular weight of 180.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-2-yl-8-oxabicyclo[5.1.0]octane is sourced from PubChem (CID 14617715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).