4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane

C7H12O2 — CID 5385682

IUPAC4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1OCC(C)O1
InChIInChI=1S/C7H12O2/c1-3-4-7-8-5-6(2)9-7/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyNYZXENUZCWUIJS-ONEGZZNKSA-N
MW128.17 g/mol
LogP1.32
Rot. Bonds1

About 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane

4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane (PubChem CID 5385682) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
PubChem CID5385682
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1OCC(C)O1
InChIInChI=1S/C7H12O2/c1-3-4-7-8-5-6(2)9-7/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyNYZXENUZCWUIJS-ONEGZZNKSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
The IUPAC name of 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane (CID 5385682) is 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane is C/C=C/C1OCC(C)O1.
What is the InChIKey of 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
The InChIKey is NYZXENUZCWUIJS-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-7-8-5-6(2)9-7/h3-4,6-7H,5H2,1-2H3/b4-3+.
What are the key properties of 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane has a molecular weight of 128.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 5385682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).