2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol

C16H40O5Si3 — CID 140891438

IUPAC2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
SMILESCCC(CO)(CO)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si3/c1-9-16(13-17,14-18)15-19-11-10-12-24(8,20-22(2,3)4)21-23(5,6)7/h17-18H,9-15H2,1-8H3
InChIKeyCVJNYVZOHOBPEI-UHFFFAOYSA-N
MW396.75 g/mol
LogP3.55
Rot. Bonds13

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

2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol (PubChem CID 140891438) has the molecular formula C16H40O5Si3 and a molecular weight of 396.75 g/mol. Its IUPAC name is 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
PubChem CID140891438
Molecular FormulaC16H40O5Si3
Molecular Weight396.75 g/mol
Exact Mass396.22
IUPAC Name2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
SMILESCCC(CO)(CO)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O5Si3/c1-9-16(13-17,14-18)15-19-11-10-12-24(8,20-22(2,3)4)21-23(5,6)7/h17-18H,9-15H2,1-8H3
InChIKeyCVJNYVZOHOBPEI-UHFFFAOYSA-N
XLogP3.55
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
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 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol (CID 140891438) is 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol is CCC(CO)(CO)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?
The InChIKey is CVJNYVZOHOBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O5Si3/c1-9-16(13-17,14-18)15-19-11-10-12-24(8,20-22(2,3)4)21-23(5,6)7/h17-18H,9-15H2,1-8H3.
What are the key properties of 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol?
2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol has a molecular weight of 396.75 g/mol, XLogP of 3.55, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol is sourced from PubChem (CID 140891438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).