(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol

C21H30O3Si — CID 15409689

IUPAC(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
SMILESCC(O)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H30O3Si/c1-17(23)20(15-16-22)24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,22-23H,15-16H2,1-4H3/t17?,20-/m0/s1
InChIKeyQAOBGFFPXRMAIR-OZBJMMHXSA-N
MW358.55 g/mol
LogP2.69
Rot. Bonds7

About (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol

(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol (PubChem CID 15409689) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
PubChem CID15409689
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
SMILESCC(O)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H30O3Si/c1-17(23)20(15-16-22)24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,22-23H,15-16H2,1-4H3/t17?,20-/m0/s1
InChIKeyQAOBGFFPXRMAIR-OZBJMMHXSA-N
XLogP2.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(3S,5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-7-phenylmethoxyoctane-1,3-diol
CID 134841075
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
CID 11795236
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol (CID 15409689) is (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol is CC(O)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol?
The InChIKey is QAOBGFFPXRMAIR-OZBJMMHXSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-17(23)20(15-16-22)24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,22-23H,15-16H2,1-4H3/t17?,20-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol?
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol has a molecular weight of 358.55 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol is sourced from PubChem (CID 15409689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).