tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate

C18H38O3Si2 — CID 10926445

IUPACtert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate
SMILESCC(C)(C)OC(=O)C/C(=C/C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)20-16(19)14-15(12-13-22(7,8)9)21-23(10,11)18(4,5)6/h12H,13-14H2,1-11H3/b15-12-
InChIKeyZZVNGFAYGBFCOC-QINSGFPZSA-N
MW358.67 g/mol
LogP5.96
Rot. Bonds6

About tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate

tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate (PubChem CID 10926445) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate
PubChem CID10926445
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Nametert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate
SMILESCC(C)(C)OC(=O)C/C(=C/C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-17(2,3)20-16(19)14-15(12-13-22(7,8)9)21-23(10,11)18(4,5)6/h12H,13-14H2,1-11H3/b15-12-
InChIKeyZZVNGFAYGBFCOC-QINSGFPZSA-N
XLogP5.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ketoadipic acid, TMS # 2
CID 91749592
Succinylacetone, TBDMS # 3
CID 91752657
Bis[tert-butyl(dimethyl)silyl]-3-([tert-butyl(dimethyl)silyl]oxy)pent-2-enedioate
CID 91697060
Ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 176380813
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxypent-3-enoate
CID 101667085

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate?
The IUPAC name of tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate (CID 10926445) is tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate.
What is the SMILES notation for tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate?
The canonical SMILES for tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate is CC(C)(C)OC(=O)C/C(=C/C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate?
The InChIKey is ZZVNGFAYGBFCOC-QINSGFPZSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-17(2,3)20-16(19)14-15(12-13-22(7,8)9)21-23(10,11)18(4,5)6/h12H,13-14H2,1-11H3/b15-12-.
What are the key properties of tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate?
tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate has a molecular weight of 358.67 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate is sourced from PubChem (CID 10926445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).