1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane

C14H30O4S2 — CID 23462762

IUPAC1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane
SMILESCCOC(CC)(OCC)SSC(CC)(OCC)OCC
InChIInChI=1S/C14H30O4S2/c1-7-13(15-9-3,16-10-4)19-20-14(8-2,17-11-5)18-12-6/h7-12H2,1-6H3
InChIKeyVFYDRGUSSYFIAC-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.64
Rot. Bonds13

About 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane

1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane (PubChem CID 23462762) has the molecular formula C14H30O4S2 and a molecular weight of 326.52 g/mol. Its IUPAC name is 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane.

Molecular Properties

Compound Name1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane
PubChem CID23462762
Molecular FormulaC14H30O4S2
Molecular Weight326.52 g/mol
Exact Mass326.16
IUPAC Name1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane
SMILESCCOC(CC)(OCC)SSC(CC)(OCC)OCC
InChIInChI=1S/C14H30O4S2/c1-7-13(15-9-3,16-10-4)19-20-14(8-2,17-11-5)18-12-6/h7-12H2,1-6H3
InChIKeyVFYDRGUSSYFIAC-UHFFFAOYSA-N
XLogP4.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane
CID 175504709
3-ethoxypentan-3-amine
CID 87385378
[[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane
CID 173012104
1,1-diethoxypropan-1-amine
CID 22735038
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-ethoxy-2-fluorobutane
CID 89114459
3-ethoxy-3-ethyl-2,2-dimethylpentane
CID 174477708
CID 87590887
CID 87590887
triethoxymethyl-λ2-stannane
CID 173115424
1,3-diamino-2-ethoxypropan-2-ol
CID 174780599

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane?
The IUPAC name of 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane (CID 23462762) is 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane.
What is the SMILES notation for 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane?
The canonical SMILES for 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane is CCOC(CC)(OCC)SSC(CC)(OCC)OCC.
What is the InChIKey of 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane?
The InChIKey is VFYDRGUSSYFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S2/c1-7-13(15-9-3,16-10-4)19-20-14(8-2,17-11-5)18-12-6/h7-12H2,1-6H3.
What are the key properties of 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane?
1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane has a molecular weight of 326.52 g/mol, XLogP of 4.64, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane is sourced from PubChem (CID 23462762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).