3-prop-1-en-2-yloxolane

C7H12O — CID 70288914

IUPAC3-prop-1-en-2-yloxolane
SMILESC=C(C)C1CCOC1
InChIInChI=1S/C7H12O/c1-6(2)7-3-4-8-5-7/h7H,1,3-5H2,2H3
InChIKeyPAAYBTWYIGSRFT-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds1

About 3-prop-1-en-2-yloxolane

3-prop-1-en-2-yloxolane (PubChem CID 70288914) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-prop-1-en-2-yloxolane.

Molecular Properties

Compound Name3-prop-1-en-2-yloxolane
PubChem CID70288914
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-prop-1-en-2-yloxolane
SMILESC=C(C)C1CCOC1
InChIInChI=1S/C7H12O/c1-6(2)7-3-4-8-5-7/h7H,1,3-5H2,2H3
InChIKeyPAAYBTWYIGSRFT-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yloxolane?
The IUPAC name of 3-prop-1-en-2-yloxolane (CID 70288914) is 3-prop-1-en-2-yloxolane.
What is the SMILES notation for 3-prop-1-en-2-yloxolane?
The canonical SMILES for 3-prop-1-en-2-yloxolane is C=C(C)C1CCOC1.
What is the InChIKey of 3-prop-1-en-2-yloxolane?
The InChIKey is PAAYBTWYIGSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)7-3-4-8-5-7/h7H,1,3-5H2,2H3.
What are the key properties of 3-prop-1-en-2-yloxolane?
3-prop-1-en-2-yloxolane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yloxolane is sourced from PubChem (CID 70288914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).