1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane

C11H22O4SSi — CID 174559692

IUPAC1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane
SMILESCCCC1(OC)C(=S=O)CCC[Si]1(OC)OC
InChIInChI=1S/C11H22O4SSi/c1-5-8-11(13-2)10(16-12)7-6-9-17(11,14-3)15-4/h5-9H2,1-4H3
InChIKeyFCIPGMAFZSYWTB-UHFFFAOYSA-N
MW278.45 g/mol
LogP1.63
Rot. Bonds5

About 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane

1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane (PubChem CID 174559692) has the molecular formula C11H22O4SSi and a molecular weight of 278.45 g/mol. Its IUPAC name is 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane
PubChem CID174559692
Molecular FormulaC11H22O4SSi
Molecular Weight278.45 g/mol
Exact Mass278.10
IUPAC Name1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane
SMILESCCCC1(OC)C(=S=O)CCC[Si]1(OC)OC
InChIInChI=1S/C11H22O4SSi/c1-5-8-11(13-2)10(16-12)7-6-9-17(11,14-3)15-4/h5-9H2,1-4H3
InChIKeyFCIPGMAFZSYWTB-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', '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
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
CID 174905238
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
3-chloro-1,1,2-trimethoxy-2-propylsilinane
CID 174351373
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969
3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
CID 174805272

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane?
The IUPAC name of 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane (CID 174559692) is 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane.
What is the SMILES notation for 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane?
The canonical SMILES for 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane is CCCC1(OC)C(=S=O)CCC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane?
The InChIKey is FCIPGMAFZSYWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4SSi/c1-5-8-11(13-2)10(16-12)7-6-9-17(11,14-3)15-4/h5-9H2,1-4H3.
What are the key properties of 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane?
1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane has a molecular weight of 278.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane is sourced from PubChem (CID 174559692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).