1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate

C12H26O7Si — CID 154641604

IUPAC1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
SMILESCCC(=O)OC(CC)OC(CC)CO[Si](O)(OC)OC
InChIInChI=1S/C12H26O7Si/c1-6-10(9-17-20(14,15-4)16-5)18-12(8-3)19-11(13)7-2/h10,12,14H,6-9H2,1-5H3
InChIKeyJAHRVMQUBLTDLW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.21
Rot. Bonds11

About 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate

1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate (PubChem CID 154641604) has the molecular formula C12H26O7Si and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate.

Molecular Properties

Compound Name1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
PubChem CID154641604
Molecular FormulaC12H26O7Si
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
SMILESCCC(=O)OC(CC)OC(CC)CO[Si](O)(OC)OC
InChIInChI=1S/C12H26O7Si/c1-6-10(9-17-20(14,15-4)16-5)18-12(8-3)19-11(13)7-2/h10,12,14H,6-9H2,1-5H3
InChIKeyJAHRVMQUBLTDLW-UHFFFAOYSA-N
XLogP1.21
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate
CID 141073678
1-acetyloxypropyl propanoate
CID 141272286
1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
CID 141200066
1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate
CID 141322875
1-(tripropoxysilylmethoxy)propyl propanoate
CID 141200003
(4,4-dimethoxy-1-propanoyloxybutyl) propanoate
CID 121011755
buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate
CID 141111614
1-acetyloxybutan-2-yl propanoate;2-acetyloxybutyl propanoate
CID 158582642
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
2,3-di(propanoyloxy)propyl 2-methylpropanoate
CID 121433991
methyl 3,4-di(propanoyloxy)butanoate
CID 139957469
tert-butyl 3-propanoyloxypentanoate
CID 19889267

Frequently Asked Questions

What is the IUPAC name of 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate?
The IUPAC name of 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate (CID 154641604) is 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate.
What is the SMILES notation for 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate?
The canonical SMILES for 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate is CCC(=O)OC(CC)OC(CC)CO[Si](O)(OC)OC.
What is the InChIKey of 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate?
The InChIKey is JAHRVMQUBLTDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O7Si/c1-6-10(9-17-20(14,15-4)16-5)18-12(8-3)19-11(13)7-2/h10,12,14H,6-9H2,1-5H3.
What are the key properties of 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate?
1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate has a molecular weight of 310.42 g/mol, XLogP of 1.21, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate is sourced from PubChem (CID 154641604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).