2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol

C14H26O7 — CID 118461097

IUPAC2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol
SMILESCOCC(O)OCC(C)(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H26O7/c1-14(8-17-3-11-5-19-11,9-18-4-12-6-20-12)10-21-13(15)7-16-2/h11-13,15H,3-10H2,1-2H3
InChIKeyMAGBYHMCZQCNPV-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.20
Rot. Bonds13

About 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol

2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol (PubChem CID 118461097) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol.

Molecular Properties

Compound Name2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol
PubChem CID118461097
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol
SMILESCOCC(O)OCC(C)(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H26O7/c1-14(8-17-3-11-5-19-11,9-18-4-12-6-20-12)10-21-13(15)7-16-2/h11-13,15H,3-10H2,1-2H3
InChIKeyMAGBYHMCZQCNPV-UHFFFAOYSA-N
XLogP-0.20
TPSA82.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
CID 118319216
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815
2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22726121
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
CID 142337917
1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
CID 175354226
2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane
CID 87149514
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
CID 146626109

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol?
The IUPAC name of 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol (CID 118461097) is 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol.
What is the SMILES notation for 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol?
The canonical SMILES for 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol is COCC(O)OCC(C)(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol?
The InChIKey is MAGBYHMCZQCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7/c1-14(8-17-3-11-5-19-11,9-18-4-12-6-20-12)10-21-13(15)7-16-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol?
2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol has a molecular weight of 306.36 g/mol, XLogP of -0.20, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol is sourced from PubChem (CID 118461097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).