[[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane

C12H30O4S2Si2 — CID 173012104

IUPAC[[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane
SMILESCCOC(OCC)([SiH2]C)SSC(OCC)(OCC)[SiH2]C
InChIInChI=1S/C12H30O4S2Si2/c1-7-13-11(19-5,14-8-2)17-18-12(20-6,15-9-3)16-10-4/h7-10,19-20H2,1-6H3
InChIKeyBVFILVWNJPBOPC-UHFFFAOYSA-N
MW358.67 g/mol
LogP2.17
Rot. Bonds13

About [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane

[[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane (PubChem CID 173012104) has the molecular formula C12H30O4S2Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane.

Molecular Properties

Compound Name[[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane
PubChem CID173012104
Molecular FormulaC12H30O4S2Si2
Molecular Weight358.67 g/mol
Exact Mass358.11
IUPAC Name[[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane
SMILESCCOC(OCC)([SiH2]C)SSC(OCC)(OCC)[SiH2]C
InChIInChI=1S/C12H30O4S2Si2/c1-7-13-11(19-5,14-8-2)17-18-12(20-6,15-9-3)16-10-4/h7-10,19-20H2,1-6H3
InChIKeyBVFILVWNJPBOPC-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
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
3-ethoxy-3-ethyl-2,2-dimethylpentane
CID 174477708
CID 87590887
CID 87590887
triethoxymethyl-λ2-stannane
CID 173115424
2-ethoxy-2-ethylbutan-1-amine
CID 65051068
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2,2,5,5-tetraethoxyhexane
CID 42611383
1-amino-2-ethoxypropan-2-ol
CID 174792064
1,1,1-triethoxy-3-(3,3,3-triethoxypropylsulfanyl)propane
CID 172628738

Frequently Asked Questions

What is the IUPAC name of [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane?
The IUPAC name of [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane (CID 173012104) is [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane.
What is the SMILES notation for [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane?
The canonical SMILES for [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane is CCOC(OCC)([SiH2]C)SSC(OCC)(OCC)[SiH2]C.
What is the InChIKey of [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane?
The InChIKey is BVFILVWNJPBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O4S2Si2/c1-7-13-11(19-5,14-8-2)17-18-12(20-6,15-9-3)16-10-4/h7-10,19-20H2,1-6H3.
What are the key properties of [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane?
[[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane has a molecular weight of 358.67 g/mol, XLogP of 2.17, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[[diethoxy(methylsilyl)methyl]disulfanyl]-diethoxymethyl]-methylsilane is sourced from PubChem (CID 173012104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).