[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate

C27H34O4Si — CID 11576022

IUPAC[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@H](C[C@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C=C
InChIInChI=1S/C27H34O4Si/c1-6-14-22(30-26(29)7-2)21-23(19-20-28)31-32(27(3,4)5,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h6-13,15-18,20,22-23H,1-2,14,19,21H2,3-5H3/t22-,23+/m1/s1
InChIKeyBOAWLNSOAOHDQR-PKTZIBPZSA-N
MW450.65 g/mol
LogP4.58
Rot. Bonds12

About [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate

[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate (PubChem CID 11576022) has the molecular formula C27H34O4Si and a molecular weight of 450.65 g/mol. Its IUPAC name is [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate
PubChem CID11576022
Molecular FormulaC27H34O4Si
Molecular Weight450.65 g/mol
Exact Mass450.22
IUPAC Name[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@H](C[C@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C=C
InChIInChI=1S/C27H34O4Si/c1-6-14-22(30-26(29)7-2)21-23(19-20-28)31-32(27(3,4)5,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h6-13,15-18,20,22-23H,1-2,14,19,21H2,3-5H3/t22-,23+/m1/s1
InChIKeyBOAWLNSOAOHDQR-PKTZIBPZSA-N
XLogP4.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl] (E)-4,4-dimethyl-5-oxohept-2-enoate
CID 10918000
[(4S,5S,6R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methyl-7-oxohept-1-en-4-yl] benzoate
CID 53495958
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,6R)-2,2-dimethyl-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]hept-1-en-4-yl] prop-2-enoate
CID 132553674
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4,4,4-trifluorobutanal
CID 91243665
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
CID 25105662
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate?
The IUPAC name of [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate (CID 11576022) is [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate.
What is the SMILES notation for [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate?
The canonical SMILES for [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate is C=CC[C@H](C[C@H](CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C=C.
What is the InChIKey of [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate?
The InChIKey is BOAWLNSOAOHDQR-PKTZIBPZSA-N. The full InChI is InChI=1S/C27H34O4Si/c1-6-14-22(30-26(29)7-2)21-23(19-20-28)31-32(27(3,4)5,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h6-13,15-18,20,22-23H,1-2,14,19,21H2,3-5H3/t22-,23+/m1/s1.
What are the key properties of [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate?
[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate has a molecular weight of 450.65 g/mol, XLogP of 4.58, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate is sourced from PubChem (CID 11576022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).