trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane

C9H20O5S — CID 144672879

IUPACtrimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane
SMILESCOS(CCCOCC1CO1)(OC)OC
InChIInChI=1S/C9H20O5S/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3
InChIKeySNSYZGMYZQAMIL-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.28
Rot. Bonds9

About trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane

trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane (PubChem CID 144672879) has the molecular formula C9H20O5S and a molecular weight of 240.32 g/mol. Its IUPAC name is trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane
PubChem CID144672879
Molecular FormulaC9H20O5S
Molecular Weight240.32 g/mol
Exact Mass240.10
IUPAC Nametrimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane
SMILESCOS(CCCOCC1CO1)(OC)OC
InChIInChI=1S/C9H20O5S/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3
InChIKeySNSYZGMYZQAMIL-UHFFFAOYSA-N
XLogP1.28
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[[9-(oxiran-2-ylmethoxy)-5,5-bis[4-(oxiran-2-ylmethoxy)butyl]nonoxy]methyl]oxirane
CID 150577624
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane?
The IUPAC name of trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane (CID 144672879) is trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane.
What is the SMILES notation for trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane?
The canonical SMILES for trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane is COS(CCCOCC1CO1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane?
The InChIKey is SNSYZGMYZQAMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5S/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3.
What are the key properties of trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane?
trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane has a molecular weight of 240.32 g/mol, XLogP of 1.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane is sourced from PubChem (CID 144672879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).