4-methyl-3-prop-2-enyldioxolane

C7H12O2 — CID 139821071

IUPAC4-methyl-3-prop-2-enyldioxolane
SMILESC=CCC1OOCC1C
InChIInChI=1S/C7H12O2/c1-3-4-7-6(2)5-8-9-7/h3,6-7H,1,4-5H2,2H3
InChIKeyOQVKZLMJTBIGGM-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.53
Rot. Bonds2

About 4-methyl-3-prop-2-enyldioxolane

4-methyl-3-prop-2-enyldioxolane (PubChem CID 139821071) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-3-prop-2-enyldioxolane.

Molecular Properties

Compound Name4-methyl-3-prop-2-enyldioxolane
PubChem CID139821071
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methyl-3-prop-2-enyldioxolane
SMILESC=CCC1OOCC1C
InChIInChI=1S/C7H12O2/c1-3-4-7-6(2)5-8-9-7/h3,6-7H,1,4-5H2,2H3
InChIKeyOQVKZLMJTBIGGM-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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'}

Analyze 4-methyl-3-prop-2-enyldioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Prop-2-enyldioxolane
CID 87333190
4-Ethenyl-3,3-dimethyldioxolane
CID 88299583
(2S,4R)-4-ethenyl-2-methyloxolane
CID 129118066
3-Pent-4-en-2-yldioxolane
CID 134227286
4-Ethenyl-2-methyloxolane
CID 148097486
3-Propan-2-yl-5-prop-2-enyldioxolane
CID 155147329
3-Methyl-5-prop-2-enyldioxolane
CID 155699401
3,4-Bis(prop-2-enyl)dioxolane
CID 173580647
(3R,4S)-3-methyl-4-prop-2-enyldioxolane
CID 14417010
(3R,5R)-5-ethenyl-3-methyldioxane
CID 21728212
(3R,5S)-5-ethenyl-3-methyldioxane
CID 21728213

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-2-enyldioxolane?
The IUPAC name of 4-methyl-3-prop-2-enyldioxolane (CID 139821071) is 4-methyl-3-prop-2-enyldioxolane.
What is the SMILES notation for 4-methyl-3-prop-2-enyldioxolane?
The canonical SMILES for 4-methyl-3-prop-2-enyldioxolane is C=CCC1OOCC1C.
What is the InChIKey of 4-methyl-3-prop-2-enyldioxolane?
The InChIKey is OQVKZLMJTBIGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-7-6(2)5-8-9-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 4-methyl-3-prop-2-enyldioxolane?
4-methyl-3-prop-2-enyldioxolane has a molecular weight of 128.17 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-2-enyldioxolane is sourced from PubChem (CID 139821071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).