4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane

C12H20O4 — CID 18710587

IUPAC4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(/C=C/C2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O4/c1-11(2)13-7-9(15-11)5-6-10-8-14-12(3,4)16-10/h5-6,9-10H,7-8H2,1-4H3/b6-5+
InChIKeyOJKJTRYVWJHGDH-AATRIKPKSA-N
MW228.29 g/mol
LogP1.85
Rot. Bonds2

About 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane

4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 18710587) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID18710587
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(/C=C/C2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O4/c1-11(2)13-7-9(15-11)5-6-10-8-14-12(3,4)16-10/h5-6,9-10H,7-8H2,1-4H3/b6-5+
InChIKeyOJKJTRYVWJHGDH-AATRIKPKSA-N
XLogP1.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
1,4,9,12-Tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene
CID 319563
2-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)-1,3-dioxolane
CID 12770203
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
a-D-erythro-Hex-3-enofuranose,3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-
CID 11053817
4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 59875112
4-[(Z)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 59875115
4-(2-Fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72584865
8,8-Dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 597496
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 135315549

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane (CID 18710587) is 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(/C=C/C2COC(C)(C)O2)O1.
What is the InChIKey of 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OJKJTRYVWJHGDH-AATRIKPKSA-N. The full InChI is InChI=1S/C12H20O4/c1-11(2)13-7-9(15-11)5-6-10-8-14-12(3,4)16-10/h5-6,9-10H,7-8H2,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane?
4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 228.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 18710587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).