1-(tripropoxysilylmethoxy)propyl propanoate

C16H34O6Si — CID 141200003

IUPAC1-(tripropoxysilylmethoxy)propyl propanoate
SMILESCCCO[Si](COC(CC)OC(=O)CC)(OCCC)OCCC
InChIInChI=1S/C16H34O6Si/c1-6-11-19-23(20-12-7-2,21-13-8-3)14-18-16(10-5)22-15(17)9-4/h16H,6-14H2,1-5H3
InChIKeyWGLUCILNTVCVFD-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.45
Rot. Bonds15

About 1-(tripropoxysilylmethoxy)propyl propanoate

1-(tripropoxysilylmethoxy)propyl propanoate (PubChem CID 141200003) has the molecular formula C16H34O6Si and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-(tripropoxysilylmethoxy)propyl propanoate.

Molecular Properties

Compound Name1-(tripropoxysilylmethoxy)propyl propanoate
PubChem CID141200003
Molecular FormulaC16H34O6Si
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name1-(tripropoxysilylmethoxy)propyl propanoate
SMILESCCCO[Si](COC(CC)OC(=O)CC)(OCCC)OCCC
InChIInChI=1S/C16H34O6Si/c1-6-11-19-23(20-12-7-2,21-13-8-3)14-18-16(10-5)22-15(17)9-4/h16H,6-14H2,1-5H3
InChIKeyWGLUCILNTVCVFD-UHFFFAOYSA-N
XLogP3.45
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
CID 141200066
1-acetyloxypropyl propanoate
CID 141272286
buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate
CID 141111614
1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate
CID 141322875
1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate
CID 141073678
1-pentoxypropyl butanoate
CID 87362466
bis(1-butoxypropyl) dodecanedioate
CID 87198216
[dimethyl(propoxy)silyl] propanoate
CID 23534071
1-propanoyloxyoctadecyl propanoate
CID 154386000
1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
CID 154641604
tripropoxysilylmethyl 2-methylprop-2-enoate
CID 22266632
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] propanoate
CID 15049400

Frequently Asked Questions

What is the IUPAC name of 1-(tripropoxysilylmethoxy)propyl propanoate?
The IUPAC name of 1-(tripropoxysilylmethoxy)propyl propanoate (CID 141200003) is 1-(tripropoxysilylmethoxy)propyl propanoate.
What is the SMILES notation for 1-(tripropoxysilylmethoxy)propyl propanoate?
The canonical SMILES for 1-(tripropoxysilylmethoxy)propyl propanoate is CCCO[Si](COC(CC)OC(=O)CC)(OCCC)OCCC.
What is the InChIKey of 1-(tripropoxysilylmethoxy)propyl propanoate?
The InChIKey is WGLUCILNTVCVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6Si/c1-6-11-19-23(20-12-7-2,21-13-8-3)14-18-16(10-5)22-15(17)9-4/h16H,6-14H2,1-5H3.
What are the key properties of 1-(tripropoxysilylmethoxy)propyl propanoate?
1-(tripropoxysilylmethoxy)propyl propanoate has a molecular weight of 350.53 g/mol, XLogP of 3.45, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tripropoxysilylmethoxy)propyl propanoate is sourced from PubChem (CID 141200003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).