methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate

C24H32O3Si — CID 99772672

IUPACmethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
SMILESCOC(=O)/C=C(\C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-20(19-23(25)26-5)13-12-18-27-28(24(2,3)4,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,19H,12-13,18H2,1-5H3/b20-19+
InChIKeyODURTJJWIVSJMF-FMQUCBEESA-N
MW396.60 g/mol
LogP4.46
Rot. Bonds8

About methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate

methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate (PubChem CID 99772672) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
PubChem CID99772672
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Namemethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
SMILESCOC(=O)/C=C(\C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-20(19-23(25)26-5)13-12-18-27-28(24(2,3)4,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,19H,12-13,18H2,1-5H3/b20-19+
InChIKeyODURTJJWIVSJMF-FMQUCBEESA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
CID 10319406
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
CID 71605137
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate?
The IUPAC name of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate (CID 99772672) is methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate.
What is the SMILES notation for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate?
The canonical SMILES for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate is COC(=O)/C=C(\C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate?
The InChIKey is ODURTJJWIVSJMF-FMQUCBEESA-N. The full InChI is InChI=1S/C24H32O3Si/c1-20(19-23(25)26-5)13-12-18-27-28(24(2,3)4,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,19H,12-13,18H2,1-5H3/b20-19+.
What are the key properties of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate?
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate has a molecular weight of 396.60 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate is sourced from PubChem (CID 99772672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).