3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol

C16H40O5Si3 — CID 164734485

IUPAC3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol
SMILESCC(C)(CCOCC(O)CO)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si3/c1-16(2,10-11-19-13-15(18)12-17)14-24(9,20-22(3,4)5)21-23(6,7)8/h15,17-18H,10-14H2,1-9H3
InChIKeyLNEGDRXTTPAZGW-UHFFFAOYSA-N
MW396.75 g/mol
LogP3.55
Rot. Bonds12

About 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol

3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol (PubChem CID 164734485) has the molecular formula C16H40O5Si3 and a molecular weight of 396.75 g/mol. Its IUPAC name is 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol
PubChem CID164734485
Molecular FormulaC16H40O5Si3
Molecular Weight396.75 g/mol
Exact Mass396.22
IUPAC Name3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol
SMILESCC(C)(CCOCC(O)CO)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si3/c1-16(2,10-11-19-13-15(18)12-17)14-24(9,20-22(3,4)5)21-23(6,7)8/h15,17-18H,10-14H2,1-9H3
InChIKeyLNEGDRXTTPAZGW-UHFFFAOYSA-N
XLogP3.55
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol?
The IUPAC name of 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol (CID 164734485) is 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol?
The canonical SMILES for 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol is CC(C)(CCOCC(O)CO)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol?
The InChIKey is LNEGDRXTTPAZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O5Si3/c1-16(2,10-11-19-13-15(18)12-17)14-24(9,20-22(3,4)5)21-23(6,7)8/h15,17-18H,10-14H2,1-9H3.
What are the key properties of 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol?
3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol has a molecular weight of 396.75 g/mol, XLogP of 3.55, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethyl-4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,2-diol is sourced from PubChem (CID 164734485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).