1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol

C29H68O6Si4 — CID 121235915

IUPAC1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol
SMILESCCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)OCCOCC(C)O)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C29H68O6Si4/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-39(10,35-38(8,9)33-36(3,4)5)34-37(6,7)32-26-25-31-28-29(2)30/h29-30H,11-28H2,1-10H3
InChIKeyNVCSYKRTCNTBMX-UHFFFAOYSA-N
MW625.20 g/mol
LogP9.24
Rot. Bonds27

About 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol

1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol (PubChem CID 121235915) has the molecular formula C29H68O6Si4 and a molecular weight of 625.20 g/mol. Its IUPAC name is 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol
PubChem CID121235915
Molecular FormulaC29H68O6Si4
Molecular Weight625.20 g/mol
Exact Mass624.41
IUPAC Name1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol
SMILESCCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)OCCOCC(C)O)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C29H68O6Si4/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-39(10,35-38(8,9)33-36(3,4)5)34-37(6,7)32-26-25-31-28-29(2)30/h29-30H,11-28H2,1-10H3
InChIKeyNVCSYKRTCNTBMX-UHFFFAOYSA-N
XLogP9.24
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.20
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol?
The IUPAC name of 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol (CID 121235915) is 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol is CCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)OCCOCC(C)O)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol?
The InChIKey is NVCSYKRTCNTBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H68O6Si4/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-39(10,35-38(8,9)33-36(3,4)5)34-37(6,7)32-26-25-31-28-29(2)30/h29-30H,11-28H2,1-10H3.
What are the key properties of 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol?
1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol has a molecular weight of 625.20 g/mol, XLogP of 9.24, 27 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-methylsilyl]oxy-dimethylsilyl]oxyethoxy]propan-2-ol is sourced from PubChem (CID 121235915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).