4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane

C17H32O8 — CID 59690888

IUPAC4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOC(COCC(COCC1COC(C)(C)O1)OC)COCC1CO1
InChIInChI=1S/C17H32O8/c1-17(2)24-12-16(25-17)10-22-8-14(19-4)6-20-5-13(18-3)7-21-9-15-11-23-15/h13-16H,5-12H2,1-4H3
InChIKeyVJQGYAWUVFVZJX-UHFFFAOYSA-N
MW364.44 g/mol
LogP0.62
Rot. Bonds14

About 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane

4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 59690888) has the molecular formula C17H32O8 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID59690888
Molecular FormulaC17H32O8
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOC(COCC(COCC1COC(C)(C)O1)OC)COCC1CO1
InChIInChI=1S/C17H32O8/c1-17(2)24-12-16(25-17)10-22-8-14(19-4)6-20-5-13(18-3)7-21-9-15-11-23-15/h13-16H,5-12H2,1-4H3
InChIKeyVJQGYAWUVFVZJX-UHFFFAOYSA-N
XLogP0.62
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363
4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
CID 91584937
2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane
CID 59690885
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
2,2-dimethyl-4-(2-propoxyhexadecoxymethyl)-1,3-dioxolane
CID 622798
4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane;methane
CID 159627691
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
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
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol
CID 10903259
(4R)-2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
CID 102409102

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane (CID 59690888) is 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane is COC(COCC(COCC1COC(C)(C)O1)OC)COCC1CO1.
What is the InChIKey of 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is VJQGYAWUVFVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O8/c1-17(2)24-12-16(25-17)10-22-8-14(19-4)6-20-5-13(18-3)7-21-9-15-11-23-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 364.44 g/mol, XLogP of 0.62, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 59690888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).