2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane

C18H30O4S2 — CID 170724372

IUPAC2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
SMILESC=CCOCC(COCC=C)SSC(COCC=C)COCC=C
InChIInChI=1S/C18H30O4S2/c1-5-9-19-13-17(14-20-10-6-2)23-24-18(15-21-11-7-3)16-22-12-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyPDINYWZCDQAJBQ-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.92
Rot. Bonds19

About 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane

2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane (PubChem CID 170724372) has the molecular formula C18H30O4S2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane.

Molecular Properties

Compound Name2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
PubChem CID170724372
Molecular FormulaC18H30O4S2
Molecular Weight374.57 g/mol
Exact Mass374.16
IUPAC Name2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
SMILESC=CCOCC(COCC=C)SSC(COCC=C)COCC=C
InChIInChI=1S/C18H30O4S2/c1-5-9-19-13-17(14-20-10-6-2)23-24-18(15-21-11-7-3)16-22-12-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyPDINYWZCDQAJBQ-UHFFFAOYSA-N
XLogP3.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene
CID 87996510
2-methylsulfanyl-1-prop-2-enoxypropane
CID 89197901
(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile
CID 101034532
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661
Potassium allyloxide
CID 87828396
1-chloro-2-prop-2-enoxyethanamine;hydrochloride
CID 174944456
CID 155545800
CID 155545800
CID 154701098
CID 154701098
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-(prop-2-enoxymethyl)heptane
CID 3530837
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane?
The IUPAC name of 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane (CID 170724372) is 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane.
What is the SMILES notation for 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane?
The canonical SMILES for 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane is C=CCOCC(COCC=C)SSC(COCC=C)COCC=C.
What is the InChIKey of 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane?
The InChIKey is PDINYWZCDQAJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4S2/c1-5-9-19-13-17(14-20-10-6-2)23-24-18(15-21-11-7-3)16-22-12-8-4/h5-8,17-18H,1-4,9-16H2.
What are the key properties of 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane?
2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane has a molecular weight of 374.57 g/mol, XLogP of 3.92, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane is sourced from PubChem (CID 170724372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).