tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

C16H32O3Si — CID 11335605

IUPACtert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESC[C@@H](C/C=C/C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-13(19-20(8,9)16(5,6)7)11-10-12-14(17)18-15(2,3)4/h10,12-13H,11H2,1-9H3/b12-10+/t13-/m0/s1
InChIKeyCCGCHQNCDXAONT-XSNHNAGMSA-N
MW300.52 g/mol
LogP4.68
Rot. Bonds5

About tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (PubChem CID 11335605) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.

Molecular Properties

Compound Nametert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
PubChem CID11335605
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nametert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESC[C@@H](C/C=C/C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-13(19-20(8,9)16(5,6)7)11-10-12-14(17)18-15(2,3)4/h10,12-13H,11H2,1-9H3/b12-10+/t13-/m0/s1
InChIKeyCCGCHQNCDXAONT-XSNHNAGMSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.68
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,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
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 (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The IUPAC name of tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (CID 11335605) is tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.
What is the SMILES notation for tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The canonical SMILES for tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is C[C@@H](C/C=C/C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The InChIKey is CCGCHQNCDXAONT-XSNHNAGMSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-13(19-20(8,9)16(5,6)7)11-10-12-14(17)18-15(2,3)4/h10,12-13H,11H2,1-9H3/b12-10+/t13-/m0/s1.
What are the key properties of tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is sourced from PubChem (CID 11335605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).