3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol

C26H58O4Si2 — CID 58762139

IUPAC3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol
SMILESCC(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO
InChIInChI=1S/C26H58O4Si2/c1-18(23(20(3)17-27)29-31(12,13)25(6,7)8)16-19(2)24(21(4)22(5)28)30-32(14,15)26(9,10)11/h18-24,27-28H,16-17H2,1-15H3
InChIKeyHZCMPVANARGYMN-UHFFFAOYSA-N
MW490.92 g/mol
LogP7.07
Rot. Bonds12

About 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol

3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol (PubChem CID 58762139) has the molecular formula C26H58O4Si2 and a molecular weight of 490.92 g/mol. Its IUPAC name is 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol.

Molecular Properties

Compound Name3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol
PubChem CID58762139
Molecular FormulaC26H58O4Si2
Molecular Weight490.92 g/mol
Exact Mass490.39
IUPAC Name3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol
SMILESCC(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO
InChIInChI=1S/C26H58O4Si2/c1-18(23(20(3)17-27)29-31(12,13)25(6,7)8)16-19(2)24(21(4)22(5)28)30-32(14,15)26(9,10)11/h18-24,27-28H,16-17H2,1-15H3
InChIKeyHZCMPVANARGYMN-UHFFFAOYSA-N
XLogP7.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.92
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol?
The IUPAC name of 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol (CID 58762139) is 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol.
What is the SMILES notation for 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol?
The canonical SMILES for 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol is CC(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO.
What is the InChIKey of 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol?
The InChIKey is HZCMPVANARGYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58O4Si2/c1-18(23(20(3)17-27)29-31(12,13)25(6,7)8)16-19(2)24(21(4)22(5)28)30-32(14,15)26(9,10)11/h18-24,27-28H,16-17H2,1-15H3.
What are the key properties of 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol?
3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol has a molecular weight of 490.92 g/mol, XLogP of 7.07, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8-tetramethyldecane-1,9-diol is sourced from PubChem (CID 58762139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).