3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene

C10H18O2S2 — CID 134208768

IUPAC3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene
SMILESC=CC(OCC)SSC(C=C)OCC
InChIInChI=1S/C10H18O2S2/c1-5-9(11-7-3)13-14-10(6-2)12-8-4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyMWMMBYKRJXMAHB-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.46
Rot. Bonds9

About 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene

3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene (PubChem CID 134208768) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene
PubChem CID134208768
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene
SMILESC=CC(OCC)SSC(C=C)OCC
InChIInChI=1S/C10H18O2S2/c1-5-9(11-7-3)13-14-10(6-2)12-8-4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyMWMMBYKRJXMAHB-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 87282897
CID 87282897
CID 524110
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CID 19867106
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CID 57637468
CID 57637468
CID 88337978
CID 88337978
CID 88619314
CID 88619314
CID 134284297
CID 134284297
CID 156674382
CID 156674382
CID 170350349
CID 170350349
CID 170350350
CID 170350350
CID 170724372
CID 170724372
CID 173433689
CID 173433689

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
The IUPAC name of 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene (CID 134208768) is 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
The canonical SMILES for 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene is C=CC(OCC)SSC(C=C)OCC.
What is the InChIKey of 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
The InChIKey is MWMMBYKRJXMAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-5-9(11-7-3)13-14-10(6-2)12-8-4/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene has a molecular weight of 234.39 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 134208768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).