(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol

C41H46O4Si — CID 101038575

IUPAC(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
SMILESCC(C)(C)[Si](OC[C@@H](CO)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H46O4Si/c1-40(2,3)46(38-25-15-7-16-26-38,39-27-17-8-18-28-39)45-31-33(30-42)29-37(43)32-44-41(34-19-9-4-10-20-34,35-21-11-5-12-22-35)36-23-13-6-14-24-36/h4-28,33,37,42-43H,29-32H2,1-3H3/t33-,37+/m1/s1
InChIKeyUGROUIBLUMSLSI-GOJCVTOHSA-N
MW630.90 g/mol
LogP6.93
Rot. Bonds14

About (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol

(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol (PubChem CID 101038575) has the molecular formula C41H46O4Si and a molecular weight of 630.90 g/mol. Its IUPAC name is (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol.

Molecular Properties

Compound Name(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
PubChem CID101038575
Molecular FormulaC41H46O4Si
Molecular Weight630.90 g/mol
Exact Mass630.32
IUPAC Name(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
SMILESCC(C)(C)[Si](OC[C@@H](CO)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H46O4Si/c1-40(2,3)46(38-25-15-7-16-26-38,39-27-17-8-18-28-39)45-31-33(30-42)29-37(43)32-44-41(34-19-9-4-10-20-34,35-21-11-5-12-22-35)36-23-13-6-14-24-36/h4-28,33,37,42-43H,29-32H2,1-3H3/t33-,37+/m1/s1
InChIKeyUGROUIBLUMSLSI-GOJCVTOHSA-N
XLogP6.93
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.90
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
CID 45033911
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
CID 142497056
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol?
The IUPAC name of (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol (CID 101038575) is (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol.
What is the SMILES notation for (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol?
The canonical SMILES for (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol is CC(C)(C)[Si](OC[C@@H](CO)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol?
The InChIKey is UGROUIBLUMSLSI-GOJCVTOHSA-N. The full InChI is InChI=1S/C41H46O4Si/c1-40(2,3)46(38-25-15-7-16-26-38,39-27-17-8-18-28-39)45-31-33(30-42)29-37(43)32-44-41(34-19-9-4-10-20-34,35-21-11-5-12-22-35)36-23-13-6-14-24-36/h4-28,33,37,42-43H,29-32H2,1-3H3/t33-,37+/m1/s1.
What are the key properties of (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol?
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol has a molecular weight of 630.90 g/mol, XLogP of 6.93, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol is sourced from PubChem (CID 101038575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).