3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol

C28H42O2Si — CID 140750443

IUPAC3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CCCC1CCCO
InChIInChI=1S/C28H42O2Si/c1-23(27-19-11-13-24(27)14-12-21-29)20-22-30-31(28(2,3)4,25-15-7-5-8-16-25)26-17-9-6-10-18-26/h5-10,15-18,23-24,27,29H,11-14,19-22H2,1-4H3/t23-,24?,27?/m0/s1
InChIKeyISNDQHJYYBYOGI-HVNPKJTBSA-N
MW438.73 g/mol
LogP5.78
Rot. Bonds10

About 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol

3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol (PubChem CID 140750443) has the molecular formula C28H42O2Si and a molecular weight of 438.73 g/mol. Its IUPAC name is 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol
PubChem CID140750443
Molecular FormulaC28H42O2Si
Molecular Weight438.73 g/mol
Exact Mass438.30
IUPAC Name3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CCCC1CCCO
InChIInChI=1S/C28H42O2Si/c1-23(27-19-11-13-24(27)14-12-21-29)20-22-30-31(28(2,3)4,25-15-7-5-8-16-25)26-17-9-6-10-18-26/h5-10,15-18,23-24,27,29H,11-14,19-22H2,1-4H3/t23-,24?,27?/m0/s1
InChIKeyISNDQHJYYBYOGI-HVNPKJTBSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol
CID 10322138

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol?
The IUPAC name of 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol (CID 140750443) is 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol?
The canonical SMILES for 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol is C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CCCC1CCCO.
What is the InChIKey of 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol?
The InChIKey is ISNDQHJYYBYOGI-HVNPKJTBSA-N. The full InChI is InChI=1S/C28H42O2Si/c1-23(27-19-11-13-24(27)14-12-21-29)20-22-30-31(28(2,3)4,25-15-7-5-8-16-25)26-17-9-6-10-18-26/h5-10,15-18,23-24,27,29H,11-14,19-22H2,1-4H3/t23-,24?,27?/m0/s1.
What are the key properties of 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol?
3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol has a molecular weight of 438.73 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol is sourced from PubChem (CID 140750443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).