6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol

C22H32O2Si — CID 11013734

IUPAC6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h6-11,14-17,23H,4-5,12-13,18-19H2,1-3H3
InChIKeyGYLUCTSUXJQGEC-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.12
Rot. Bonds9

About 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol

6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol (PubChem CID 11013734) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol
PubChem CID11013734
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol
SMILESCC(C)(C)[Si](OCCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h6-11,14-17,23H,4-5,12-13,18-19H2,1-3H3
InChIKeyGYLUCTSUXJQGEC-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.12
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 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol (CID 11013734) is 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol is CC(C)(C)[Si](OCCCCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
The InChIKey is GYLUCTSUXJQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h6-11,14-17,23H,4-5,12-13,18-19H2,1-3H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol?
6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol has a molecular weight of 356.58 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxyhexan-1-ol is sourced from PubChem (CID 11013734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).