[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate

C30H37O3PSi — CID 174911876

IUPAC[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37O3PSi/c1-30(2,3)35(4,5)33-29(32)23-15-16-25(31)24-34(26-17-9-6-10-18-26,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h6-14,17-22,24H,15-16,23H2,1-5H3
InChIKeyDQKTXVPRMHKLQX-UHFFFAOYSA-N
MW504.68 g/mol
LogP6.07
Rot. Bonds9

About [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate

[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate (PubChem CID 174911876) has the molecular formula C30H37O3PSi and a molecular weight of 504.68 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
PubChem CID174911876
Molecular FormulaC30H37O3PSi
Molecular Weight504.68 g/mol
Exact Mass504.22
IUPAC Name[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37O3PSi/c1-30(2,3)35(4,5)33-29(32)23-15-16-25(31)24-34(26-17-9-6-10-18-26,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h6-14,17-22,24H,15-16,23H2,1-5H3
InChIKeyDQKTXVPRMHKLQX-UHFFFAOYSA-N
XLogP6.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 140746850
6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one
CID 11349379
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoic acid
CID 87454435
methyl 4-oxo-5-(triphenyl-λ5-phosphanylidene)pentanoate;hydrobromide
CID 146120929
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
14-oxo-15-(triphenyl-λ5-phosphanylidene)pentadec-9-enal
CID 71328578
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
[tert-butyl(dimethyl)silyl] 2-anilinoacetate
CID 69047191
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate (CID 174911876) is [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate is CC(C)(C)[Si](C)(C)OC(=O)CCCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate?
The InChIKey is DQKTXVPRMHKLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37O3PSi/c1-30(2,3)35(4,5)33-29(32)23-15-16-25(31)24-34(26-17-9-6-10-18-26,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h6-14,17-22,24H,15-16,23H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate?
[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate has a molecular weight of 504.68 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate is sourced from PubChem (CID 174911876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).