3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol

C25H56O4Si2 — CID 58590003

IUPAC3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol
SMILESCCCCCCCCCCC(OCC(O)CO)C(C)(C(C)(C)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C25H56O4Si2/c1-11-12-13-14-15-16-17-18-19-23(28-21-22(27)20-26)25(4,30(5,6)7)24(2,3)29-31(8,9)10/h22-23,26-27H,11-21H2,1-10H3
InChIKeyRHFXRGPAFGHDCF-UHFFFAOYSA-N
MW476.89 g/mol
LogP6.98
Rot. Bonds18

About 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol

3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol (PubChem CID 58590003) has the molecular formula C25H56O4Si2 and a molecular weight of 476.89 g/mol. Its IUPAC name is 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol
PubChem CID58590003
Molecular FormulaC25H56O4Si2
Molecular Weight476.89 g/mol
Exact Mass476.37
IUPAC Name3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol
SMILESCCCCCCCCCCC(OCC(O)CO)C(C)(C(C)(C)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C25H56O4Si2/c1-11-12-13-14-15-16-17-18-19-23(28-21-22(27)20-26)25(4,30(5,6)7)24(2,3)29-31(8,9)10/h22-23,26-27H,11-21H2,1-10H3
InChIKeyRHFXRGPAFGHDCF-UHFFFAOYSA-N
XLogP6.98
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.89
LogP ≤ 56.98
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-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol?
The IUPAC name of 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol (CID 58590003) is 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol.
What is the SMILES notation for 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol?
The canonical SMILES for 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol is CCCCCCCCCCC(OCC(O)CO)C(C)(C(C)(C)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol?
The InChIKey is RHFXRGPAFGHDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H56O4Si2/c1-11-12-13-14-15-16-17-18-19-23(28-21-22(27)20-26)25(4,30(5,6)7)24(2,3)29-31(8,9)10/h22-23,26-27H,11-21H2,1-10H3.
What are the key properties of 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol?
3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol has a molecular weight of 476.89 g/mol, XLogP of 6.98, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-3-trimethylsilyl-2-trimethylsilyloxytetradecan-4-yl)oxypropane-1,2-diol is sourced from PubChem (CID 58590003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).