ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate

C18H34O3Si — CID 135077408

IUPACethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate
SMILESCCOC(=O)/C=C\[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-7-20-17(19)14-13-16(15-11-9-8-10-12-15)21-22(5,6)18(2,3)4/h13-16H,7-12H2,1-6H3/b14-13-/t16-/m0/s1
InChIKeyVPPOQMNLTXFUTQ-FIPLFPIMSA-N
MW326.55 g/mol
LogP5.08
Rot. Bonds6

About ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate

ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate (PubChem CID 135077408) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate
PubChem CID135077408
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate
SMILESCCOC(=O)/C=C\[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-7-20-17(19)14-13-16(15-11-9-8-10-12-15)21-22(5,6)18(2,3)4/h13-16H,7-12H2,1-6H3/b14-13-/t16-/m0/s1
InChIKeyVPPOQMNLTXFUTQ-FIPLFPIMSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.08
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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate?
The IUPAC name of ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate (CID 135077408) is ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate.
What is the SMILES notation for ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate?
The canonical SMILES for ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate is CCOC(=O)/C=C\[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate?
The InChIKey is VPPOQMNLTXFUTQ-FIPLFPIMSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-20-17(19)14-13-16(15-11-9-8-10-12-15)21-22(5,6)18(2,3)4/h13-16H,7-12H2,1-6H3/b14-13-/t16-/m0/s1.
What are the key properties of ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate?
ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate has a molecular weight of 326.55 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate is sourced from PubChem (CID 135077408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).