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

C10H16O — CID 14617711

IUPAC1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane
SMILESC=C(C)C12CCCCCC1O2
InChIInChI=1S/C10H16O/c1-8(2)10-7-5-3-4-6-9(10)11-10/h9H,1,3-7H2,2H3
InChIKeySHAXIMGZHXPGEI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds1

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

1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane (PubChem CID 14617711) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane.

Molecular Properties

Compound Name1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane
PubChem CID14617711
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane
SMILESC=C(C)C12CCCCCC1O2
InChIInChI=1S/C10H16O/c1-8(2)10-7-5-3-4-6-9(10)11-10/h9H,1,3-7H2,2H3
InChIKeySHAXIMGZHXPGEI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
The IUPAC name of 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane (CID 14617711) is 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane.
What is the SMILES notation for 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
The canonical SMILES for 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane is C=C(C)C12CCCCCC1O2.
What is the InChIKey of 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
The InChIKey is SHAXIMGZHXPGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10-7-5-3-4-6-9(10)11-10/h9H,1,3-7H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane?
1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane has a molecular weight of 152.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-8-oxabicyclo[5.1.0]octane is sourced from PubChem (CID 14617711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).