3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol

C23H50O5Si2 — CID 20725090

IUPAC3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol
SMILESCCCCCCCCCC/[Si](=C/O[Si](C)(C)C)OCC(C)CCCOCC(O)CO
InChIInChI=1S/C23H50O5Si2/c1-6-7-8-9-10-11-12-13-17-29(21-28-30(3,4)5)27-19-22(2)15-14-16-26-20-23(25)18-24/h21-25H,6-20H2,1-5H3/b29-21-
InChIKeyJQDUVYADMBRNAG-ANYBSYGZSA-N
MW462.82 g/mol
LogP5.11
Rot. Bonds21

About 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol

3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol (PubChem CID 20725090) has the molecular formula C23H50O5Si2 and a molecular weight of 462.82 g/mol. Its IUPAC name is 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol
PubChem CID20725090
Molecular FormulaC23H50O5Si2
Molecular Weight462.82 g/mol
Exact Mass462.32
IUPAC Name3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol
SMILESCCCCCCCCCC/[Si](=C/O[Si](C)(C)C)OCC(C)CCCOCC(O)CO
InChIInChI=1S/C23H50O5Si2/c1-6-7-8-9-10-11-12-13-17-29(21-28-30(3,4)5)27-19-22(2)15-14-16-26-20-23(25)18-24/h21-25H,6-20H2,1-5H3/b29-21-
InChIKeyJQDUVYADMBRNAG-ANYBSYGZSA-N
XLogP5.11
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 55.11
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-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol?
The IUPAC name of 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol (CID 20725090) is 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol.
What is the SMILES notation for 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol?
The canonical SMILES for 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol is CCCCCCCCCC/[Si](=C/O[Si](C)(C)C)OCC(C)CCCOCC(O)CO.
What is the InChIKey of 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol?
The InChIKey is JQDUVYADMBRNAG-ANYBSYGZSA-N. The full InChI is InChI=1S/C23H50O5Si2/c1-6-7-8-9-10-11-12-13-17-29(21-28-30(3,4)5)27-19-22(2)15-14-16-26-20-23(25)18-24/h21-25H,6-20H2,1-5H3/b29-21-.
What are the key properties of 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol?
3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol has a molecular weight of 462.82 g/mol, XLogP of 5.11, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(Z)-decyl(trimethylsilyloxymethylidene)silyl]oxy-4-methylpentoxy]propane-1,2-diol is sourced from PubChem (CID 20725090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).