3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol

C19H44O4Si2 — CID 20725091

IUPAC3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol
SMILESCCCCC(C(CCCOCC(O)CO)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H44O4Si2/c1-8-9-12-19(24(2,3)4)17(15-23-25(5,6)7)11-10-13-22-16-18(21)14-20/h17-21H,8-16H2,1-7H3
InChIKeyLATIFCJFHPHQDZ-UHFFFAOYSA-N
MW392.73 g/mol
LogP4.50
Rot. Bonds15

About 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol

3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol (PubChem CID 20725091) has the molecular formula C19H44O4Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol
PubChem CID20725091
Molecular FormulaC19H44O4Si2
Molecular Weight392.73 g/mol
Exact Mass392.28
IUPAC Name3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol
SMILESCCCCC(C(CCCOCC(O)CO)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H44O4Si2/c1-8-9-12-19(24(2,3)4)17(15-23-25(5,6)7)11-10-13-22-16-18(21)14-20/h17-21H,8-16H2,1-7H3
InChIKeyLATIFCJFHPHQDZ-UHFFFAOYSA-N
XLogP4.50
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol?
The IUPAC name of 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol (CID 20725091) is 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol.
What is the SMILES notation for 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol?
The canonical SMILES for 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol is CCCCC(C(CCCOCC(O)CO)CO[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol?
The InChIKey is LATIFCJFHPHQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44O4Si2/c1-8-9-12-19(24(2,3)4)17(15-23-25(5,6)7)11-10-13-22-16-18(21)14-20/h17-21H,8-16H2,1-7H3.
What are the key properties of 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol?
3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol has a molecular weight of 392.73 g/mol, XLogP of 4.50, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-trimethylsilyl-4-(trimethylsilyloxymethyl)nonoxy]propane-1,2-diol is sourced from PubChem (CID 20725091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).