methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate

C24H32O3Si — CID 101065949

IUPACmethyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
SMILESCOC(=O)CCCC/C=C/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(21-15-9-7-10-16-21,22-17-11-8-12-18-22)27-20-14-6-5-13-19-23(25)26-4/h7-12,14-18,20H,5-6,13,19H2,1-4H3/b20-14+
InChIKeyXBZGUPWWBKBRPK-XSFVSMFZSA-N
MW396.60 g/mol
LogP4.81
Rot. Bonds9

About methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate

methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate (PubChem CID 101065949) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate.

Molecular Properties

Compound Namemethyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
PubChem CID101065949
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Namemethyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
SMILESCOC(=O)CCCC/C=C/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(21-15-9-7-10-16-21,22-17-11-8-12-18-22)27-20-14-6-5-13-19-23(25)26-4/h7-12,14-18,20H,5-6,13,19H2,1-4H3/b20-14+
InChIKeyXBZGUPWWBKBRPK-XSFVSMFZSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate
CID 15527217
methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate
CID 67796297
methyl (5S,6E,8Z)-5-[tert-butyl(diphenyl)silyl]oxy-11-hydroxyundeca-6,8-dienoate
CID 101068041
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
methyl (Z)-7-[(1S,2R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-phenylcyclopentyl]hept-5-enoate
CID 67796464
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
CID 10257143
methyl (5E,9E)-10-[3-[(E)-8-[tert-butyl(diphenyl)silyl]oxyoct-2-enyl]oxiran-2-yl]-8-hydroxydeca-5,9-dienoate
CID 100982637
methyl 11-[chloro(diphenyl)silyl]undecanoate
CID 101109981
methyl (Z)-octadec-9-enoate;phenol
CID 67859518
[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
CID 156904919

Frequently Asked Questions

What is the IUPAC name of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate?
The IUPAC name of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate (CID 101065949) is methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate.
What is the SMILES notation for methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate?
The canonical SMILES for methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate is COC(=O)CCCC/C=C/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate?
The InChIKey is XBZGUPWWBKBRPK-XSFVSMFZSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(21-15-9-7-10-16-21,22-17-11-8-12-18-22)27-20-14-6-5-13-19-23(25)26-4/h7-12,14-18,20H,5-6,13,19H2,1-4H3/b20-14+.
What are the key properties of methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate?
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate has a molecular weight of 396.60 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate is sourced from PubChem (CID 101065949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).