4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane

C17H30O4 — CID 71207019

IUPAC4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane
SMILESCCC1(CC)OCC(C=CC2OC(CC)(CC)OC2C)O1
InChIInChI=1S/C17H30O4/c1-6-16(7-2)18-12-14(20-16)10-11-15-13(5)19-17(8-3,9-4)21-15/h10-11,13-15H,6-9,12H2,1-5H3
InChIKeyTZBHAFPGYWGOQM-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.79
Rot. Bonds6

About 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane

4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane (PubChem CID 71207019) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane
PubChem CID71207019
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane
SMILESCCC1(CC)OCC(C=CC2OC(CC)(CC)OC2C)O1
InChIInChI=1S/C17H30O4/c1-6-16(7-2)18-12-14(20-16)10-11-15-13(5)19-17(8-3,9-4)21-15/h10-11,13-15H,6-9,12H2,1-5H3
InChIKeyTZBHAFPGYWGOQM-UHFFFAOYSA-N
XLogP3.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
The IUPAC name of 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane (CID 71207019) is 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane is CCC1(CC)OCC(C=CC2OC(CC)(CC)OC2C)O1.
What is the InChIKey of 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
The InChIKey is TZBHAFPGYWGOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-6-16(7-2)18-12-14(20-16)10-11-15-13(5)19-17(8-3,9-4)21-15/h10-11,13-15H,6-9,12H2,1-5H3.
What are the key properties of 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane has a molecular weight of 298.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 71207019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).