(2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol

C32H52O2Si — CID 102185890

IUPAC(2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol
SMILESCCCCCCCCCCCCCC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-29(33)28-34-35(32(2,3)4,30-24-19-16-20-25-30)31-26-21-17-22-27-31/h16-17,19-22,24-27,29,33H,5-15,18,23,28H2,1-4H3/t29-/m0/s1
InChIKeyRBJNNCXQPHABLZ-LJAQVGFWSA-N
MW496.85 g/mol
LogP8.02
Rot. Bonds18

About (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol

(2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol (PubChem CID 102185890) has the molecular formula C32H52O2Si and a molecular weight of 496.85 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol
PubChem CID102185890
Molecular FormulaC32H52O2Si
Molecular Weight496.85 g/mol
Exact Mass496.37
IUPAC Name(2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol
SMILESCCCCCCCCCCCCCC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-29(33)28-34-35(32(2,3)4,30-24-19-16-20-25-30)31-26-21-17-22-27-31/h16-17,19-22,24-27,29,33H,5-15,18,23,28H2,1-4H3/t29-/m0/s1
InChIKeyRBJNNCXQPHABLZ-LJAQVGFWSA-N
XLogP8.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.85
LogP ≤ 58.02
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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Related Compounds

Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246890
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylpentane-1,4-diol
CID 357857
Silane, diphenyl(2-fluoroethoxy)nonyloxy-
CID 91717508
Silane, diphenyldecyloxy(2-fluoroethoxy)-
CID 91717512
Silane, diphenyldodecyloxy(2-fluoroethoxy)-
CID 91717513
Silane, diphenyl(2-fluoroethoxy)tridecyloxy-
CID 91717514

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol (CID 102185890) is (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol is CCCCCCCCCCCCCC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol?
The InChIKey is RBJNNCXQPHABLZ-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-29(33)28-34-35(32(2,3)4,30-24-19-16-20-25-30)31-26-21-17-22-27-31/h16-17,19-22,24-27,29,33H,5-15,18,23,28H2,1-4H3/t29-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol?
(2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol has a molecular weight of 496.85 g/mol, XLogP of 8.02, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(diphenyl)silyl]oxyhexadecan-2-ol is sourced from PubChem (CID 102185890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).