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

C7H12O2 — CID 14613364

IUPAC2-methyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1(C)OCCO1
InChIInChI=1S/C7H12O2/c1-6(2)7(3)8-4-5-9-7/h1,4-5H2,2-3H3
InChIKeyCJWVIHVWKIOTNB-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds1

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

2-methyl-2-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 14613364) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-prop-1-en-2-yl-1,3-dioxolane
PubChem CID14613364
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1(C)OCCO1
InChIInChI=1S/C7H12O2/c1-6(2)7(3)8-4-5-9-7/h1,4-5H2,2-3H3
InChIKeyCJWVIHVWKIOTNB-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylen-2,2-dimethyl-1,3-dioxolane
CID 12409146
1,3-Dioxolane, 2-ethenyl-2-methyl-
CID 287948
2-Ethenyl-2-ethyl-1,3-dioxolane
CID 13230701
2-Methoxy-2-methyl-4-methylene-1,3-dioxolane
CID 21677530
(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
2-Ethyl-2-methyl-4-methylene-1,3-dioxolane
CID 12409157
4-Methyl-5-methylidene-1,3-dioxolane
CID 13058513
2-Ethenyl-2,4-dimethyl-1,3-dioxolane
CID 287974
2-Methyl-2-(2-methylprop-1-enyl)-1,3-dioxolane
CID 15564251
4-Methyl-2-prop-1-en-2-yl-1,3-dioxolane
CID 19939655
(4S)-2,2-Dimethyl-4-(prop-1-en-2-yl)-1,3-dioxolane
CID 71391888
2-Methoxymethyl-2-methyl-4-methylene-1,3-di-oxolane
CID 12409158

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane (CID 14613364) is 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane is C=C(C)C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is CJWVIHVWKIOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)7(3)8-4-5-9-7/h1,4-5H2,2-3H3.
What are the key properties of 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane?
2-methyl-2-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 14613364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).