3-methyl-5-prop-2-enyldioxolane

C7H12O2 — CID 155699401

IUPAC3-methyl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C)OO1
InChIInChI=1S/C7H12O2/c1-3-4-7-5-6(2)8-9-7/h3,6-7H,1,4-5H2,2H3
InChIKeyAKWWKONTRBLARM-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.67
Rot. Bonds2

About 3-methyl-5-prop-2-enyldioxolane

3-methyl-5-prop-2-enyldioxolane (PubChem CID 155699401) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-methyl-5-prop-2-enyldioxolane.

Molecular Properties

Compound Name3-methyl-5-prop-2-enyldioxolane
PubChem CID155699401
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-methyl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C)OO1
InChIInChI=1S/C7H12O2/c1-3-4-7-5-6(2)8-9-7/h3,6-7H,1,4-5H2,2H3
InChIKeyAKWWKONTRBLARM-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-prop-2-enyldioxolane?
The IUPAC name of 3-methyl-5-prop-2-enyldioxolane (CID 155699401) is 3-methyl-5-prop-2-enyldioxolane.
What is the SMILES notation for 3-methyl-5-prop-2-enyldioxolane?
The canonical SMILES for 3-methyl-5-prop-2-enyldioxolane is C=CCC1CC(C)OO1.
What is the InChIKey of 3-methyl-5-prop-2-enyldioxolane?
The InChIKey is AKWWKONTRBLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-7-5-6(2)8-9-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-methyl-5-prop-2-enyldioxolane?
3-methyl-5-prop-2-enyldioxolane has a molecular weight of 128.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-prop-2-enyldioxolane is sourced from PubChem (CID 155699401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).