1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol

C28H36O3Si — CID 11762130

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
SMILESCC(C)(C)[Si](OCC(O)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O3Si/c1-28(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-23-25(29)16-13-21-30-22-24-14-7-4-8-15-24/h4-12,14-15,17-20,25,29H,13,16,21-23H2,1-3H3
InChIKeyUOBBKVFEPASYFT-UHFFFAOYSA-N
MW448.68 g/mol
LogP4.92
Rot. Bonds11

About 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol

1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol (PubChem CID 11762130) has the molecular formula C28H36O3Si and a molecular weight of 448.68 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
PubChem CID11762130
Molecular FormulaC28H36O3Si
Molecular Weight448.68 g/mol
Exact Mass448.24
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
SMILESCC(C)(C)[Si](OCC(O)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O3Si/c1-28(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-23-25(29)16-13-21-30-22-24-14-7-4-8-15-24/h4-12,14-15,17-20,25,29H,13,16,21-23H2,1-3H3
InChIKeyUOBBKVFEPASYFT-UHFFFAOYSA-N
XLogP4.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.68
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol (CID 11762130) is 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol is CC(C)(C)[Si](OCC(O)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol?
The InChIKey is UOBBKVFEPASYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O3Si/c1-28(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-23-25(29)16-13-21-30-22-24-14-7-4-8-15-24/h4-12,14-15,17-20,25,29H,13,16,21-23H2,1-3H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol?
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol has a molecular weight of 448.68 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol is sourced from PubChem (CID 11762130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).