1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane

C10H22O4S2 — CID 175504709

IUPAC1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane
SMILESCCC(OC)(OC)SSC(CC)(OC)OC
InChIInChI=1S/C10H22O4S2/c1-7-9(11-3,12-4)15-16-10(8-2,13-5)14-6/h7-8H2,1-6H3
InChIKeyCAFOZOWOSMDGMG-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.08
Rot. Bonds9

About 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane

1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane (PubChem CID 175504709) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane.

Molecular Properties

Compound Name1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane
PubChem CID175504709
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane
SMILESCCC(OC)(OC)SSC(CC)(OC)OC
InChIInChI=1S/C10H22O4S2/c1-7-9(11-3,12-4)15-16-10(8-2,13-5)14-6/h7-8H2,1-6H3
InChIKeyCAFOZOWOSMDGMG-UHFFFAOYSA-N
XLogP3.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.08
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-diethoxypropyldisulfanyl)-1,1-diethoxypropane
CID 23462762
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
2-methoxy-2-methylsulfanylbutane
CID 123157365
1-methoxypropane-1,1-diolate
CID 86748448
1,1-dimethoxybutyl thiocyanate
CID 175033369
3-ethyl-3-methoxy-4-propylheptane
CID 144783113
1,1-dimethoxypropan-1-ol;methane
CID 157160152
2-methoxybutan-2-amine
CID 21116415
4-ethyl-4-methoxy-2,2-dimethylhexan-3-one
CID 116747534
bis(2-methoxybutan-2-yl)diazene
CID 54130241
3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
(1S)-1-methoxy-1-sulfanylpropan-1-ol
CID 124639620

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane?
The IUPAC name of 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane (CID 175504709) is 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane.
What is the SMILES notation for 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane?
The canonical SMILES for 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane is CCC(OC)(OC)SSC(CC)(OC)OC.
What is the InChIKey of 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane?
The InChIKey is CAFOZOWOSMDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-7-9(11-3,12-4)15-16-10(8-2,13-5)14-6/h7-8H2,1-6H3.
What are the key properties of 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane?
1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane has a molecular weight of 270.42 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxypropyldisulfanyl)-1,1-dimethoxypropane is sourced from PubChem (CID 175504709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).