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

C10H18O2S2 — CID 134208767

IUPAC1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene
SMILESCCOC=CCSSCC=COCC
InChIInChI=1S/C10H18O2S2/c1-3-11-7-5-9-13-14-10-6-8-12-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyHMHFPEJXXDOREP-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.47
Rot. Bonds9

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

1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene (PubChem CID 134208767) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene
PubChem CID134208767
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene
SMILESCCOC=CCSSCC=COCC
InChIInChI=1S/C10H18O2S2/c1-3-11-7-5-9-13-14-10-6-8-12-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyHMHFPEJXXDOREP-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-ethoxypent-1-ene
CID 12512190
3-ethoxyprop-2-enylsilane
CID 150379545
(3E)-1,4-diethoxybuta-1,3-diene
CID 173199605
3-ethoxy-N,N-dimethylprop-2-en-1-amine
CID 138108716
(1Z)-1-ethoxypenta-1,4-diene
CID 173218089
1-ethoxyhex-1-ene
CID 53422434
1-ethoxyundec-1-ene
CID 71331710
(Z)-1-ethoxy-4-methylhex-1-ene
CID 11400836
1-ethoxytridec-1-ene
CID 173032013
(E)-5-ethoxypent-4-en-1-ol
CID 18436659
2-ethoxyethenyl-λ2-stannane
CID 173035861
1-(2-ethoxyethenoxy)propane
CID 154115390

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
The IUPAC name of 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene (CID 134208767) is 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
The canonical SMILES for 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene is CCOC=CCSSCC=COCC.
What is the InChIKey of 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
The InChIKey is HMHFPEJXXDOREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-3-11-7-5-9-13-14-10-6-8-12-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene?
1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene has a molecular weight of 234.39 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 134208767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).