hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane

C11H25O6SSi- — CID 174790956

IUPAChydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)CCCC[Si]1(OC)OC.O=S([O-])O
InChIInChI=1S/C11H24O3Si.H2O3S/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-4(2)3/h5-10H2,1-4H3;(H2,1,2,3)/p-1
InChIKeyPRBPCLXKCSJXFK-UHFFFAOYSA-M
MW313.47 g/mol
LogP1.97
Rot. Bonds5

About hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane

hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174790956) has the molecular formula C11H25O6SSi- and a molecular weight of 313.47 g/mol. Its IUPAC name is hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Namehydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
PubChem CID174790956
Molecular FormulaC11H25O6SSi-
Molecular Weight313.47 g/mol
Exact Mass313.11
IUPAC Namehydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)CCCC[Si]1(OC)OC.O=S([O-])O
InChIInChI=1S/C11H24O3Si.H2O3S/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-4(2)3/h5-10H2,1-4H3;(H2,1,2,3)/p-1
InChIKeyPRBPCLXKCSJXFK-UHFFFAOYSA-M
XLogP1.97
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
CID 174905238
3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
CID 174392249
2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
CID 174413287
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane (CID 174790956) is hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane is CCCC1(OC)CCCC[Si]1(OC)OC.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is PRBPCLXKCSJXFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24O3Si.H2O3S/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-4(2)3/h5-10H2,1-4H3;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane?
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 313.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174790956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).