buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate

C16H32O6Si — CID 141111614

IUPACbuta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate
SMILESC=CC=C.CCC[Si](OC)(OC)OCOC(CC)OC(=O)CC
InChIInChI=1S/C12H26O6Si.C4H6/c1-6-9-19(14-4,15-5)17-10-16-12(8-3)18-11(13)7-2;1-3-4-2/h12H,6-10H2,1-5H3;3-4H,1-2H2
InChIKeyNVBGAZCSDFFUAO-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.67
Rot. Bonds12

About buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate

buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate (PubChem CID 141111614) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate.

Molecular Properties

Compound Namebuta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate
PubChem CID141111614
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Namebuta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate
SMILESC=CC=C.CCC[Si](OC)(OC)OCOC(CC)OC(=O)CC
InChIInChI=1S/C12H26O6Si.C4H6/c1-6-9-19(14-4,15-5)17-10-16-12(8-3)18-11(13)7-2;1-3-4-2/h12H,6-10H2,1-5H3;3-4H,1-2H2
InChIKeyNVBGAZCSDFFUAO-UHFFFAOYSA-N
XLogP3.67
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.67
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[dimethoxy(propyl)silyl]oxymethyl prop-2-enoate
CID 87123617
1-(tripropoxysilylmethoxy)propyl propanoate
CID 141200003
1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
CID 141200066
[butyl(dimethoxy)silyl]oxymethyl propanoate
CID 140963360
1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate
CID 141073678
1-acetyloxypropyl propanoate
CID 141272286
1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
CID 154641604
1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
CID 154288993
azane;bis(trimethoxy(propyl)silane)
CID 87892957
2-methylprop-2-enoate;trimethoxy(propyl)silane
CID 22007225
1-prop-2-enoxypropyl acetate
CID 142726831
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
CID 150062976

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate?
The IUPAC name of buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate (CID 141111614) is buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate.
What is the SMILES notation for buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate?
The canonical SMILES for buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate is C=CC=C.CCC[Si](OC)(OC)OCOC(CC)OC(=O)CC.
What is the InChIKey of buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate?
The InChIKey is NVBGAZCSDFFUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6Si.C4H6/c1-6-9-19(14-4,15-5)17-10-16-12(8-3)18-11(13)7-2;1-3-4-2/h12H,6-10H2,1-5H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate?
buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate has a molecular weight of 348.51 g/mol, XLogP of 3.67, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate is sourced from PubChem (CID 141111614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).