dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate

C27H36O5Si — CID 135072238

IUPACdimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
SMILESC=CCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C27H36O5Si/c1-7-8-15-21(24(25(28)30-5)26(29)31-6)20-32-33(27(2,3)4,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h7,9-14,16-19,21,24H,1,8,15,20H2,2-6H3
InChIKeyOWVMCKZNFMFDMH-UHFFFAOYSA-N
MW468.67 g/mol
LogP4.11
Rot. Bonds11

About dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate

dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate (PubChem CID 135072238) has the molecular formula C27H36O5Si and a molecular weight of 468.67 g/mol. Its IUPAC name is dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
PubChem CID135072238
Molecular FormulaC27H36O5Si
Molecular Weight468.67 g/mol
Exact Mass468.23
IUPAC Namedimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
SMILESC=CCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C27H36O5Si/c1-7-8-15-21(24(25(28)30-5)26(29)31-6)20-32-33(27(2,3)4,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h7,9-14,16-19,21,24H,1,8,15,20H2,2-6H3
InChIKeyOWVMCKZNFMFDMH-UHFFFAOYSA-N
XLogP4.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate
CID 10835513
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
(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 (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate
CID 11396886
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
(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
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate?
The IUPAC name of dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate (CID 135072238) is dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate?
The canonical SMILES for dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate is C=CCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate?
The InChIKey is OWVMCKZNFMFDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O5Si/c1-7-8-15-21(24(25(28)30-5)26(29)31-6)20-32-33(27(2,3)4,22-16-11-9-12-17-22)23-18-13-10-14-19-23/h7,9-14,16-19,21,24H,1,8,15,20H2,2-6H3.
What are the key properties of dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate?
dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate has a molecular weight of 468.67 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate is sourced from PubChem (CID 135072238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).