3-butoxy-1,1,2-trimethoxy-2-propylsilinane

C15H32O4Si — CID 174591455

IUPAC3-butoxy-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCCOC1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C15H32O4Si/c1-6-8-12-19-14-10-9-13-20(17-4,18-5)15(14,16-3)11-7-2/h14H,6-13H2,1-5H3
InChIKeyAYPJMGXQJSGJGI-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.42
Rot. Bonds9

About 3-butoxy-1,1,2-trimethoxy-2-propylsilinane

3-butoxy-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174591455) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is 3-butoxy-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3-butoxy-1,1,2-trimethoxy-2-propylsilinane
PubChem CID174591455
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name3-butoxy-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCCOC1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C15H32O4Si/c1-6-8-12-19-14-10-9-13-20(17-4,18-5)15(14,16-3)11-7-2/h14H,6-13H2,1-5H3
InChIKeyAYPJMGXQJSGJGI-UHFFFAOYSA-N
XLogP3.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
CID 54753890
1,1,2-Trimethoxy-2-propyl-3-(trifluoromethoxy)silinane
CID 174902298
tri(propan-2-yl)-[[(3R)-3,4,5,6-tetrahydro-2H-pyran-2-ylium-3-yl]oxy]silane
CID 135045683
2-Decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane
CID 18939240
3-(2-Butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane
CID 57017829
Dimethyl-nonadecan-2-yloxy-(oxan-2-yl)silane
CID 70131439
2,2-Dimethyl-6-[2-(oxiran-2-ylmethoxy)butyl]oxasilinane
CID 88454660
Trimethyl-[2-(oxan-2-ylmethoxy)ethyl]silane
CID 91175172
Ethyl-dimethoxy-(2-nonoxypentoxy)silane
CID 141205041
Dimethoxy-methyl-[3-(2-pentoxypropoxy)propyl]silane
CID 161162914
Trimethyl(oxan-2-ylmethoxy)silane
CID 172194117
tert-butyl-dimethyl-[[(2S)-oxan-2-yl]methoxy]silane
CID 173794813

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3-butoxy-1,1,2-trimethoxy-2-propylsilinane (CID 174591455) is 3-butoxy-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3-butoxy-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3-butoxy-1,1,2-trimethoxy-2-propylsilinane is CCCCOC1CCC[Si](OC)(OC)C1(CCC)OC.
What is the InChIKey of 3-butoxy-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is AYPJMGXQJSGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-6-8-12-19-14-10-9-13-20(17-4,18-5)15(14,16-3)11-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 3-butoxy-1,1,2-trimethoxy-2-propylsilinane?
3-butoxy-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 304.50 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174591455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).