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

C15H38O5Si3 — CID 140891430

IUPAC2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol
SMILESCC(CO)(CO)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H38O5Si3/c1-15(13-16,14-17)18-11-9-10-12-23(8,19-21(2,3)4)20-22(5,6)7/h16-17H,9-14H2,1-8H3
InChIKeyZPRIFLOJUUXDDF-UHFFFAOYSA-N
MW382.72 g/mol
LogP3.30
Rot. Bonds12

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

2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol (PubChem CID 140891430) has the molecular formula C15H38O5Si3 and a molecular weight of 382.72 g/mol. Its IUPAC name is 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol
PubChem CID140891430
Molecular FormulaC15H38O5Si3
Molecular Weight382.72 g/mol
Exact Mass382.20
IUPAC Name2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol
SMILESCC(CO)(CO)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H38O5Si3/c1-15(13-16,14-17)18-11-9-10-12-23(8,19-21(2,3)4)20-22(5,6)7/h16-17H,9-14H2,1-8H3
InChIKeyZPRIFLOJUUXDDF-UHFFFAOYSA-N
XLogP3.30
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.72
LogP ≤ 53.30
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 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol (CID 140891430) is 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol is CC(CO)(CO)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol?
The InChIKey is ZPRIFLOJUUXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O5Si3/c1-15(13-16,14-17)18-11-9-10-12-23(8,19-21(2,3)4)20-22(5,6)7/h16-17H,9-14H2,1-8H3.
What are the key properties of 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol?
2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol has a molecular weight of 382.72 g/mol, XLogP of 3.30, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol is sourced from PubChem (CID 140891430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).