2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane

C14H22O5S — CID 146517215

IUPAC2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane
SMILESCOCOC(COCCc1ccsc1)COCC1CO1
InChIInChI=1S/C14H22O5S/c1-15-11-19-13(7-17-8-14-9-18-14)6-16-4-2-12-3-5-20-10-12/h3,5,10,13-14H,2,4,6-9,11H2,1H3
InChIKeyLGUKLBYZRPXACF-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.71
Rot. Bonds12

About 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane

2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane (PubChem CID 146517215) has the molecular formula C14H22O5S and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane
PubChem CID146517215
Molecular FormulaC14H22O5S
Molecular Weight302.39 g/mol
Exact Mass302.12
IUPAC Name2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane
SMILESCOCOC(COCCc1ccsc1)COCC1CO1
InChIInChI=1S/C14H22O5S/c1-15-11-19-13(7-17-8-14-9-18-14)6-16-4-2-12-3-5-20-10-12/h3,5,10,13-14H,2,4,6-9,11H2,1H3
InChIKeyLGUKLBYZRPXACF-UHFFFAOYSA-N
XLogP1.71
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

(2S)-2-[2-[(2S)-2-(methoxymethoxy)undecoxy]ethoxymethyl]oxirane
CID 177425326
2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
CID 166567769
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 134214462
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
2-(thiophen-3-yloxymethyl)oxirane
CID 12767980
3-(2-ethenoxyethyl)thiophene
CID 70162385
2-[2-(4-methylphenoxy)butoxymethyl]oxirane
CID 158537750
2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane
CID 123583235
1,2,3-tris(methoxymethoxy)propane
CID 54530137

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane (CID 146517215) is 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane is COCOC(COCCc1ccsc1)COCC1CO1.
What is the InChIKey of 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane?
The InChIKey is LGUKLBYZRPXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5S/c1-15-11-19-13(7-17-8-14-9-18-14)6-16-4-2-12-3-5-20-10-12/h3,5,10,13-14H,2,4,6-9,11H2,1H3.
What are the key properties of 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane?
2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane has a molecular weight of 302.39 g/mol, XLogP of 1.71, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane is sourced from PubChem (CID 146517215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).