methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate

C24H32O4Si — CID 10835513

IUPACmethyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate
SMILESCOC(=O)/C=C/CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O4Si/c1-24(2,3)29(21-14-7-5-8-15-21,22-16-9-6-10-17-22)28-19-20(25)13-11-12-18-23(26)27-4/h5-10,12,14-18,20,25H,11,13,19H2,1-4H3/b18-12+/t20-/m1/s1
InChIKeyCELFGOLCGLYIHA-VOMPUTFMSA-N
MW412.60 g/mol
LogP3.43
Rot. Bonds9

About methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate

methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate (PubChem CID 10835513) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate.

Molecular Properties

Compound Namemethyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate
PubChem CID10835513
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Namemethyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate
SMILESCOC(=O)/C=C/CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O4Si/c1-24(2,3)29(21-14-7-5-8-15-21,22-16-9-6-10-17-22)28-19-20(25)13-11-12-18-23(26)27-4/h5-10,12,14-18,20,25H,11,13,19H2,1-4H3/b18-12+/t20-/m1/s1
InChIKeyCELFGOLCGLYIHA-VOMPUTFMSA-N
XLogP3.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate
CID 11145634
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(E,3S)-1-[tert-butyl(diphenyl)silyl]oxy-7-iodohept-6-en-3-ol
CID 155931189
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
CID 135072238
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(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 methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate?
The IUPAC name of methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate (CID 10835513) is methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate.
What is the SMILES notation for methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate?
The canonical SMILES for methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate is COC(=O)/C=C/CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate?
The InChIKey is CELFGOLCGLYIHA-VOMPUTFMSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-24(2,3)29(21-14-7-5-8-15-21,22-16-9-6-10-17-22)28-19-20(25)13-11-12-18-23(26)27-4/h5-10,12,14-18,20,25H,11,13,19H2,1-4H3/b18-12+/t20-/m1/s1.
What are the key properties of methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate?
methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate has a molecular weight of 412.60 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate is sourced from PubChem (CID 10835513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).