9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol

C25H38O2Si — CID 14940128

IUPAC9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-25(2,3)28(23-17-11-9-12-18-23,24-19-13-10-14-20-24)27-22-16-8-6-4-5-7-15-21-26/h9-14,17-20,26H,4-8,15-16,21-22H2,1-3H3
InChIKeyBZCOUVKFGGKHLJ-UHFFFAOYSA-N
MW398.66 g/mol
LogP5.29
Rot. Bonds12

About 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol

9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol (PubChem CID 14940128) has the molecular formula C25H38O2Si and a molecular weight of 398.66 g/mol. Its IUPAC name is 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol.

Molecular Properties

Compound Name9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol
PubChem CID14940128
Molecular FormulaC25H38O2Si
Molecular Weight398.66 g/mol
Exact Mass398.26
IUPAC Name9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-25(2,3)28(23-17-11-9-12-18-23,24-19-13-10-14-20-24)27-22-16-8-6-4-5-7-15-21-26/h9-14,17-20,26H,4-8,15-16,21-22H2,1-3H3
InChIKeyBZCOUVKFGGKHLJ-UHFFFAOYSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol?
The IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol (CID 14940128) is 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol.
What is the SMILES notation for 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol?
The canonical SMILES for 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol is CC(C)(C)[Si](OCCCCCCCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol?
The InChIKey is BZCOUVKFGGKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2Si/c1-25(2,3)28(23-17-11-9-12-18-23,24-19-13-10-14-20-24)27-22-16-8-6-4-5-7-15-21-26/h9-14,17-20,26H,4-8,15-16,21-22H2,1-3H3.
What are the key properties of 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol?
9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol has a molecular weight of 398.66 g/mol, XLogP of 5.29, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(diphenyl)silyl]oxynonan-1-ol is sourced from PubChem (CID 14940128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).