1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane

C17H34O3SSi — CID 174905238

IUPAC1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
SMILESCC=CSC=CC.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C6H10S/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-5-7-6-4-2/h5-10H2,1-4H3;3-6H,1-2H3
InChIKeyJZPQJFFQOIQSIH-UHFFFAOYSA-N
MW346.61 g/mol
LogP5.42
Rot. Bonds7

About 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane

1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174905238) has the molecular formula C17H34O3SSi and a molecular weight of 346.61 g/mol. Its IUPAC name is 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
PubChem CID174905238
Molecular FormulaC17H34O3SSi
Molecular Weight346.61 g/mol
Exact Mass346.20
IUPAC Name1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
SMILESCC=CSC=CC.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C6H10S/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-5-7-6-4-2/h5-10H2,1-4H3;3-6H,1-2H3
InChIKeyJZPQJFFQOIQSIH-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.61
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969
N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
CID 174392249
3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525
2-(3-isothiocyanatopropyl)-1,1,2-trimethoxysilinane
CID 174434144

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane (CID 174905238) is 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane is CC=CSC=CC.CCCC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is JZPQJFFQOIQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si.C6H10S/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-5-7-6-4-2/h5-10H2,1-4H3;3-6H,1-2H3.
What are the key properties of 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane?
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 346.61 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174905238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).