4-methyl-2-prop-1-en-2-yl-1,3-dioxolane

C7H12O2 — CID 19939655

IUPAC4-methyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OCC(C)O1
InChIInChI=1S/C7H12O2/c1-5(2)7-8-4-6(3)9-7/h6-7H,1,4H2,2-3H3
InChIKeyMTRHQRZQHFSJMV-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.32
Rot. Bonds1

About 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane

4-methyl-2-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 19939655) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-prop-1-en-2-yl-1,3-dioxolane
PubChem CID19939655
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OCC(C)O1
InChIInChI=1S/C7H12O2/c1-5(2)7-8-4-6(3)9-7/h6-7H,1,4H2,2-3H3
InChIKeyMTRHQRZQHFSJMV-UHFFFAOYSA-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-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane (CID 19939655) is 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane is C=C(C)C1OCC(C)O1.
What is the InChIKey of 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is MTRHQRZQHFSJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)7-8-4-6(3)9-7/h6-7H,1,4H2,2-3H3.
What are the key properties of 4-methyl-2-prop-1-en-2-yl-1,3-dioxolane?
4-methyl-2-prop-1-en-2-yl-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-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 19939655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).