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

C19H32O6 — CID 58940308

IUPAC[5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate
SMILESCCC1(CC)OCC(C=CC2OC(CC)(CC)OC2COC(C)=O)O1
InChIInChI=1S/C19H32O6/c1-6-18(7-2)22-12-15(23-18)10-11-16-17(13-21-14(5)20)25-19(8-3,9-4)24-16/h10-11,15-17H,6-9,12-13H2,1-5H3
InChIKeyCQMXPVIDGVYNLP-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.34
Rot. Bonds8

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

[5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate (PubChem CID 58940308) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate.

Molecular Properties

Compound Name[5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate
PubChem CID58940308
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name[5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate
SMILESCCC1(CC)OCC(C=CC2OC(CC)(CC)OC2COC(C)=O)O1
InChIInChI=1S/C19H32O6/c1-6-18(7-2)22-12-15(23-18)10-11-16-17(13-21-14(5)20)25-19(8-3,9-4)24-16/h10-11,15-17H,6-9,12-13H2,1-5H3
InChIKeyCQMXPVIDGVYNLP-UHFFFAOYSA-N
XLogP3.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate?
The IUPAC name of [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate (CID 58940308) is [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate.
What is the SMILES notation for [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate?
The canonical SMILES for [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate is CCC1(CC)OCC(C=CC2OC(CC)(CC)OC2COC(C)=O)O1.
What is the InChIKey of [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate?
The InChIKey is CQMXPVIDGVYNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-6-18(7-2)22-12-15(23-18)10-11-16-17(13-21-14(5)20)25-19(8-3,9-4)24-16/h10-11,15-17H,6-9,12-13H2,1-5H3.
What are the key properties of [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate?
[5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate has a molecular weight of 356.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate is sourced from PubChem (CID 58940308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).