methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate

C27H38O4Si — CID 11396886

IUPACmethyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate
SMILESC=CC[C@@](C)(C(=O)OC)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O4Si/c1-8-19-27(6,25(29)30-7)24(28)21(2)20-31-32(26(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,21,24,28H,1,19-20H2,2-7H3/t21-,24+,27+/m0/s1
InChIKeyNPFVWBKTLWMMJR-YEEURNOCSA-N
MW454.68 g/mol
LogP4.32
Rot. Bonds10

About methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate

methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate (PubChem CID 11396886) has the molecular formula C27H38O4Si and a molecular weight of 454.68 g/mol. Its IUPAC name is methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate
PubChem CID11396886
Molecular FormulaC27H38O4Si
Molecular Weight454.68 g/mol
Exact Mass454.25
IUPAC Namemethyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate
SMILESC=CC[C@@](C)(C(=O)OC)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O4Si/c1-8-19-27(6,25(29)30-7)24(28)21(2)20-31-32(26(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,21,24,28H,1,19-20H2,2-7H3/t21-,24+,27+/m0/s1
InChIKeyNPFVWBKTLWMMJR-YEEURNOCSA-N
XLogP4.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
methyl (2E,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-methylhexa-2,5-dienoate
CID 10694232
(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
dimethyl 2-benzyl-2-[(E,3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybut-1-enyl]propanedioate
CID 101109049
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
CID 135072238

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate?
The IUPAC name of methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate (CID 11396886) is methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate.
What is the SMILES notation for methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate?
The canonical SMILES for methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate is C=CC[C@@](C)(C(=O)OC)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate?
The InChIKey is NPFVWBKTLWMMJR-YEEURNOCSA-N. The full InChI is InChI=1S/C27H38O4Si/c1-8-19-27(6,25(29)30-7)24(28)21(2)20-31-32(26(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,21,24,28H,1,19-20H2,2-7H3/t21-,24+,27+/m0/s1.
What are the key properties of methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate?
methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate has a molecular weight of 454.68 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate is sourced from PubChem (CID 11396886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).