methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate

C12H24O3Si — CID 134907379

IUPACmethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
SMILESCOC(=O)/C=C\C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(8-9-11(13)14-5)15-16(6,7)12(2,3)4/h8-10H,1-7H3/b9-8-
InChIKeyQZPVVLFJUCQVDF-HJWRWDBZSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds4

About methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate

methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate (PubChem CID 134907379) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
PubChem CID134907379
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
SMILESCOC(=O)/C=C\C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(8-9-11(13)14-5)15-16(6,7)12(2,3)4/h8-10H,1-7H3/b9-8-
InChIKeyQZPVVLFJUCQVDF-HJWRWDBZSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-2-fluoro-5-(tertbutyldimethylsilyloxy)-2-pentenoate
CID 59912784
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
CID 14617535
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The IUPAC name of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate (CID 134907379) is methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate.
What is the SMILES notation for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The canonical SMILES for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate is COC(=O)/C=C\C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The InChIKey is QZPVVLFJUCQVDF-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(8-9-11(13)14-5)15-16(6,7)12(2,3)4/h8-10H,1-7H3/b9-8-.
What are the key properties of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate is sourced from PubChem (CID 134907379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).