4-ethenyl-2-methyl-1,3-dioxolane;methane

C7H14O2 — CID 143245598

IUPAC4-ethenyl-2-methyl-1,3-dioxolane;methane
SMILESC.C=CC1COC(C)O1
InChIInChI=1S/C6H10O2.CH4/c1-3-6-4-7-5(2)8-6;/h3,5-6H,1,4H2,2H3;1H4
InChIKeyKIGNRRVVIZZYBB-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds1

About 4-ethenyl-2-methyl-1,3-dioxolane;methane

4-ethenyl-2-methyl-1,3-dioxolane;methane (PubChem CID 143245598) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-1,3-dioxolane;methane.

Molecular Properties

Compound Name4-ethenyl-2-methyl-1,3-dioxolane;methane
PubChem CID143245598
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4-ethenyl-2-methyl-1,3-dioxolane;methane
SMILESC.C=CC1COC(C)O1
InChIInChI=1S/C6H10O2.CH4/c1-3-6-4-7-5(2)8-6;/h3,5-6H,1,4H2,2H3;1H4
InChIKeyKIGNRRVVIZZYBB-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.57
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

1,3-Dioxolane, 2-ethenyl-
CID 77603
2-Ethenyl-4-methyl-1,3-dioxolane
CID 17025
1,3-Dioxolane, 2-ethenyl-2-methyl-
CID 287948
2-Isobutyl-4-vinyl-1,3-dioxolane
CID 71471386
1,3-Dioxolane, 4-methyl-2-propenyl-
CID 5385682
2-Ethenyl-2-ethyl-1,3-dioxolane
CID 13230701
1,3-Dioxolane, 2-(2-propenyl)-
CID 552071
(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
4-Methyl-5-methylidene-1,3-dioxolane
CID 13058513
6,8-Dioxabicyclo[3.2.1]oct-2-ene
CID 13438401
4-Vinyl-1,3-dioxolane
CID 19388283
1,6-anhydro-3,4-dideoxy-2-O-methyl-beta-d-threo-hex-3-enopyranose
CID 21595655

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-1,3-dioxolane;methane?
The IUPAC name of 4-ethenyl-2-methyl-1,3-dioxolane;methane (CID 143245598) is 4-ethenyl-2-methyl-1,3-dioxolane;methane.
What is the SMILES notation for 4-ethenyl-2-methyl-1,3-dioxolane;methane?
The canonical SMILES for 4-ethenyl-2-methyl-1,3-dioxolane;methane is C.C=CC1COC(C)O1.
What is the InChIKey of 4-ethenyl-2-methyl-1,3-dioxolane;methane?
The InChIKey is KIGNRRVVIZZYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.CH4/c1-3-6-4-7-5(2)8-6;/h3,5-6H,1,4H2,2H3;1H4.
What are the key properties of 4-ethenyl-2-methyl-1,3-dioxolane;methane?
4-ethenyl-2-methyl-1,3-dioxolane;methane has a molecular weight of 130.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-1,3-dioxolane;methane is sourced from PubChem (CID 143245598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).