[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate

C22H51O5PSi3 — CID 91745490

IUPAC[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate
SMILESCCC(C(=O)O[Si](C)(C)C(C)(C)C)P(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H51O5PSi3/c1-17-18(19(23)25-29(11,12)20(2,3)4)28(24,26-30(13,14)21(5,6)7)27-31(15,16)22(8,9)10/h18H,17H2,1-16H3
InChIKeyYUUMOIPQRNNCMM-UHFFFAOYSA-N
MW510.88 g/mol
LogP8.55
Rot. Bonds8

About [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate

[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate (PubChem CID 91745490) has the molecular formula C22H51O5PSi3 and a molecular weight of 510.88 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate
PubChem CID91745490
Molecular FormulaC22H51O5PSi3
Molecular Weight510.88 g/mol
Exact Mass510.28
IUPAC Name[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate
SMILESCCC(C(=O)O[Si](C)(C)C(C)(C)C)P(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H51O5PSi3/c1-17-18(19(23)25-29(11,12)20(2,3)4)28(24,26-30(13,14)21(5,6)7)27-31(15,16)22(8,9)10/h18H,17H2,1-16H3
InChIKeyYUUMOIPQRNNCMM-UHFFFAOYSA-N
XLogP8.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.88
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 91753755
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]butanoate
CID 10926473
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-methoxypropanoate
CID 91696881
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate
CID 91752573

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate (CID 91745490) is [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate is CCC(C(=O)O[Si](C)(C)C(C)(C)C)P(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate?
The InChIKey is YUUMOIPQRNNCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H51O5PSi3/c1-17-18(19(23)25-29(11,12)20(2,3)4)28(24,26-30(13,14)21(5,6)7)27-31(15,16)22(8,9)10/h18H,17H2,1-16H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate?
[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate has a molecular weight of 510.88 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate is sourced from PubChem (CID 91745490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).