3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal

C26H56O4Si2 — CID 58762146

IUPAC3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal
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)C=O
InChIInChI=1S/C26H56O4Si2/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/h17-24,28H,16H2,1-15H3
InChIKeyPEQVFLWQOCQPSX-UHFFFAOYSA-N
MW488.90 g/mol
LogP7.28
Rot. Bonds12

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

3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal (PubChem CID 58762146) has the molecular formula C26H56O4Si2 and a molecular weight of 488.90 g/mol. Its IUPAC name is 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal.

Molecular Properties

Compound Name3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal
PubChem CID58762146
Molecular FormulaC26H56O4Si2
Molecular Weight488.90 g/mol
Exact Mass488.37
IUPAC Name3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal
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)C=O
InChIInChI=1S/C26H56O4Si2/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/h17-24,28H,16H2,1-15H3
InChIKeyPEQVFLWQOCQPSX-UHFFFAOYSA-N
XLogP7.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.90
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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]-9-hydroxy-2,4,6,8-tetramethyldecanal?
The IUPAC name of 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal (CID 58762146) is 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal.
What is the SMILES notation for 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal?
The canonical SMILES for 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal 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)C=O.
What is the InChIKey of 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal?
The InChIKey is PEQVFLWQOCQPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O4Si2/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/h17-24,28H,16H2,1-15H3.
What are the key properties of 3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal?
3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecanal has a molecular weight of 488.90 g/mol, XLogP of 7.28, 12 rotatable bonds, 1 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]-9-hydroxy-2,4,6,8-tetramethyldecanal is sourced from PubChem (CID 58762146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).