(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol

C41H70O3Si — CID 171529712

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H70O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-35-43-36-38(42)37-44-45(41(2,3)4,39-31-26-24-27-32-39)40-33-28-25-29-34-40/h24-29,31-34,38,42H,5-23,30,35-37H2,1-4H3/t38-/m1/s1
InChIKeyYTBLHHCAEPGFNB-KXQOOQHDSA-N
MW639.09 g/mol
LogP10.76
Rot. Bonds28

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol (PubChem CID 171529712) has the molecular formula C41H70O3Si and a molecular weight of 639.09 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
PubChem CID171529712
Molecular FormulaC41H70O3Si
Molecular Weight639.09 g/mol
Exact Mass638.51
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H70O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-35-43-36-38(42)37-44-45(41(2,3)4,39-31-26-24-27-32-39)40-33-28-25-29-34-40/h24-29,31-34,38,42H,5-23,30,35-37H2,1-4H3/t38-/m1/s1
InChIKeyYTBLHHCAEPGFNB-KXQOOQHDSA-N
XLogP10.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.09
LogP ≤ 510.76
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

methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol
CID 159347963
1-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl dodecanoate
CID 20578345
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
benzoic acid;1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
CID 175428188
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol
CID 23238598
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol (CID 171529712) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol is CCCCCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol?
The InChIKey is YTBLHHCAEPGFNB-KXQOOQHDSA-N. The full InChI is InChI=1S/C41H70O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-35-43-36-38(42)37-44-45(41(2,3)4,39-31-26-24-27-32-39)40-33-28-25-29-34-40/h24-29,31-34,38,42H,5-23,30,35-37H2,1-4H3/t38-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol has a molecular weight of 639.09 g/mol, XLogP of 10.76, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol is sourced from PubChem (CID 171529712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).