2-methylidene-3-prop-1-en-2-yloxolane

C8H12O — CID 123679399

IUPAC2-methylidene-3-prop-1-en-2-yloxolane
SMILESC=C(C)C1CCOC1=C
InChIInChI=1S/C8H12O/c1-6(2)8-4-5-9-7(8)3/h8H,1,3-5H2,2H3
InChIKeyWYVCNCRAFFXVPF-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.11
Rot. Bonds1

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

2-methylidene-3-prop-1-en-2-yloxolane (PubChem CID 123679399) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-methylidene-3-prop-1-en-2-yloxolane.

Molecular Properties

Compound Name2-methylidene-3-prop-1-en-2-yloxolane
PubChem CID123679399
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-methylidene-3-prop-1-en-2-yloxolane
SMILESC=C(C)C1CCOC1=C
InChIInChI=1S/C8H12O/c1-6(2)8-4-5-9-7(8)3/h8H,1,3-5H2,2H3
InChIKeyWYVCNCRAFFXVPF-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.11
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 2-methylidene-3-prop-1-en-2-yloxolane?
The IUPAC name of 2-methylidene-3-prop-1-en-2-yloxolane (CID 123679399) is 2-methylidene-3-prop-1-en-2-yloxolane.
What is the SMILES notation for 2-methylidene-3-prop-1-en-2-yloxolane?
The canonical SMILES for 2-methylidene-3-prop-1-en-2-yloxolane is C=C(C)C1CCOC1=C.
What is the InChIKey of 2-methylidene-3-prop-1-en-2-yloxolane?
The InChIKey is WYVCNCRAFFXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6(2)8-4-5-9-7(8)3/h8H,1,3-5H2,2H3.
What are the key properties of 2-methylidene-3-prop-1-en-2-yloxolane?
2-methylidene-3-prop-1-en-2-yloxolane has a molecular weight of 124.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-prop-1-en-2-yloxolane is sourced from PubChem (CID 123679399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).