tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

C16H32O3Si — CID 135072980

IUPACtert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-15(2,3)19-14(17)12-10-9-11-13-18-20(7,8)16(4,5)6/h10,12H,9,11,13H2,1-8H3/b12-10+
InChIKeyUZHRDSCVURYYBW-ZRDIBKRKSA-N
MW300.51 g/mol
LogP4.69
Rot. Bonds6

About tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (PubChem CID 135072980) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
PubChem CID135072980
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-15(2,3)19-14(17)12-10-9-11-13-18-20(7,8)16(4,5)6/h10,12H,9,11,13H2,1-8H3/b12-10+
InChIKeyUZHRDSCVURYYBW-ZRDIBKRKSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.69
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

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
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
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The IUPAC name of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (CID 135072980) is tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.
What is the SMILES notation for tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The canonical SMILES for tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is CC(C)(C)OC(=O)/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The InChIKey is UZHRDSCVURYYBW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-15(2,3)19-14(17)12-10-9-11-13-18-20(7,8)16(4,5)6/h10,12H,9,11,13H2,1-8H3/b12-10+.
What are the key properties of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate has a molecular weight of 300.51 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is sourced from PubChem (CID 135072980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).