4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane

C16H34O5 — CID 159627691

IUPAC4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane
SMILESC.C.C=CCOCC(COCC1COC(C)(C)O1)OCC
InChIInChI=1S/C14H26O5.2CH4/c1-5-7-15-8-12(17-6-2)9-16-10-13-11-18-14(3,4)19-13;;/h5,12-13H,1,6-11H2,2-4H3;2*1H4
InChIKeyMOSDTRAGETXTJL-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.03
Rot. Bonds10

About 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane

4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane (PubChem CID 159627691) has the molecular formula C16H34O5 and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane.

Molecular Properties

Compound Name4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane
PubChem CID159627691
Molecular FormulaC16H34O5
Molecular Weight306.44 g/mol
Exact Mass306.24
IUPAC Name4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane
SMILESC.C.C=CCOCC(COCC1COC(C)(C)O1)OCC
InChIInChI=1S/C14H26O5.2CH4/c1-5-7-15-8-12(17-6-2)9-16-10-13-11-18-14(3,4)19-13;;/h5,12-13H,1,6-11H2,2-4H3;2*1H4
InChIKeyMOSDTRAGETXTJL-UHFFFAOYSA-N
XLogP3.03
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-butoxy-3-[2-butoxy-3-[2-butoxy-3-(2-butoxy-3-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 177103576
1-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-phenylmethoxypropoxy]-3-[2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 177177408
4-[2-[3-[1,3-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propan-2-yloxy]-2-cyclobutylpropoxy]butoxymethyl]-2,2-dimethyl-1,3-dioxolane
CID 143920166
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 59690888
2,2-dimethyl-4-(2-propoxyhexadecoxymethyl)-1,3-dioxolane
CID 622798
4-[[3-[3-[3-[3-[(E)-but-2-enoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]-2-phenylmethoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 175636040
(4S)-4-(hex-5-en-2-ynoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 9442589
4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol
CID 66587930
2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane
CID 59690885
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane?
The IUPAC name of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane (CID 159627691) is 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane.
What is the SMILES notation for 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane?
The canonical SMILES for 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane is C.C.C=CCOCC(COCC1COC(C)(C)O1)OCC.
What is the InChIKey of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane?
The InChIKey is MOSDTRAGETXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5.2CH4/c1-5-7-15-8-12(17-6-2)9-16-10-13-11-18-14(3,4)19-13;;/h5,12-13H,1,6-11H2,2-4H3;2*1H4.
What are the key properties of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane?
4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane has a molecular weight of 306.44 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane is sourced from PubChem (CID 159627691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).