2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane

C16H22O5 — CID 102063575

IUPAC2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane
SMILESC=CC1(OCC)OCC(COCc2cccc(OC)c2)O1
InChIInChI=1S/C16H22O5/c1-4-16(19-5-2)20-12-15(21-16)11-18-10-13-7-6-8-14(9-13)17-3/h4,6-9,15H,1,5,10-12H2,2-3H3
InChIKeyXQBFOWDKQOIWHN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.50
Rot. Bonds8

About 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane

2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane (PubChem CID 102063575) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane
PubChem CID102063575
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane
SMILESC=CC1(OCC)OCC(COCc2cccc(OC)c2)O1
InChIInChI=1S/C16H22O5/c1-4-16(19-5-2)20-12-15(21-16)11-18-10-13-7-6-8-14(9-13)17-3/h4,6-9,15H,1,5,10-12H2,2-3H3
InChIKeyXQBFOWDKQOIWHN-UHFFFAOYSA-N
XLogP2.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-methoxyphenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775645
1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
CID 141398507
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
4-[(3-methoxyphenyl)methoxy]-2-methylbut-2-enoic acid
CID 77075874
2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403687
1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene
CID 63468796
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
2-[6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 72756651
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane?
The IUPAC name of 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane (CID 102063575) is 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane.
What is the SMILES notation for 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane?
The canonical SMILES for 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane is C=CC1(OCC)OCC(COCc2cccc(OC)c2)O1.
What is the InChIKey of 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane?
The InChIKey is XQBFOWDKQOIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-4-16(19-5-2)20-12-15(21-16)11-18-10-13-7-6-8-14(9-13)17-3/h4,6-9,15H,1,5,10-12H2,2-3H3.
What are the key properties of 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane?
2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane has a molecular weight of 294.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-ethoxy-4-[(3-methoxyphenyl)methoxymethyl]-1,3-dioxolane is sourced from PubChem (CID 102063575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).