[1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate

C15H32O6Si — CID 58825827

IUPAC[1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate
SMILESCCC(C)OCCOCC(CO)OC(=O)CC[Si](C)(C)OC
InChIInChI=1S/C15H32O6Si/c1-6-13(2)20-9-8-19-12-14(11-16)21-15(17)7-10-22(4,5)18-3/h13-14,16H,6-12H2,1-5H3
InChIKeyFNVNPZRFKJAHEP-UHFFFAOYSA-N
MW336.50 g/mol
LogP1.96
Rot. Bonds13

About [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate

[1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate (PubChem CID 58825827) has the molecular formula C15H32O6Si and a molecular weight of 336.50 g/mol. Its IUPAC name is [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate.

Molecular Properties

Compound Name[1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate
PubChem CID58825827
Molecular FormulaC15H32O6Si
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name[1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate
SMILESCCC(C)OCCOCC(CO)OC(=O)CC[Si](C)(C)OC
InChIInChI=1S/C15H32O6Si/c1-6-13(2)20-9-8-19-12-14(11-16)21-15(17)7-10-22(4,5)18-3/h13-14,16H,6-12H2,1-5H3
InChIKeyFNVNPZRFKJAHEP-UHFFFAOYSA-N
XLogP1.96
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(1-dodecoxy-3-hydroxypropan-2-yl) tetradecanoate
CID 10367472
(1-dodecoxy-3-hydroxypropan-2-yl) decanoate
CID 86209450
[(2S)-1-hydroxy-3-octadecoxypropan-2-yl] butanoate
CID 87845035
(1-dodecoxy-3-hydroxypropan-2-yl) dodecanoate
CID 11102286
methyl 11-(2-butan-2-yloxyethoxy)undecanoate
CID 58764403
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
CID 59520968
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
CID 59520994
[(2S)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] hexadecanoate
CID 59520981
1-[2-[methoxy(dimethyl)silyl]ethoxy]propan-2-ol
CID 161271830
(1-heptadecoxy-3-hydroxypropan-2-yl) propanoate
CID 164503226
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
4-[1-[2-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]ethoxy]-3-hydroxypropan-2-yl]oxy-4-oxobutanoic acid;iridium
CID 170956295

Frequently Asked Questions

What is the IUPAC name of [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate?
The IUPAC name of [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate (CID 58825827) is [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate.
What is the SMILES notation for [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate?
The canonical SMILES for [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate is CCC(C)OCCOCC(CO)OC(=O)CC[Si](C)(C)OC.
What is the InChIKey of [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate?
The InChIKey is FNVNPZRFKJAHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6Si/c1-6-13(2)20-9-8-19-12-14(11-16)21-15(17)7-10-22(4,5)18-3/h13-14,16H,6-12H2,1-5H3.
What are the key properties of [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate?
[1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate has a molecular weight of 336.50 g/mol, XLogP of 1.96, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butan-2-yloxyethoxy)-3-hydroxypropan-2-yl] 3-[methoxy(dimethyl)silyl]propanoate is sourced from PubChem (CID 58825827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).