[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane

C21H41N2O2PSi2 — CID 23004384

IUPAC[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane
SMILESCCCC[C@H](O[Si](C)(C)C)P1(=N[Si](C)(C)C)O[C@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C21H41N2O2PSi2/c1-10-11-17-20(25-28(7,8)9)26(22-27(4,5)6)23(3)18(2)21(24-26)19-15-13-12-14-16-19/h12-16,18,20-21H,10-11,17H2,1-9H3/t18-,20+,21-,26?/m0/s1
InChIKeyJTMPRUPSQGCXFI-VAHZHXLASA-N
MW440.72 g/mol
LogP7.31
Rot. Bonds8

About [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane

[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane (PubChem CID 23004384) has the molecular formula C21H41N2O2PSi2 and a molecular weight of 440.72 g/mol. Its IUPAC name is [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane
PubChem CID23004384
Molecular FormulaC21H41N2O2PSi2
Molecular Weight440.72 g/mol
Exact Mass440.24
IUPAC Name[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane
SMILESCCCC[C@H](O[Si](C)(C)C)P1(=N[Si](C)(C)C)O[C@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C21H41N2O2PSi2/c1-10-11-17-20(25-28(7,8)9)26(22-27(4,5)6)23(3)18(2)21(24-26)19-15-13-12-14-16-19/h12-16,18,20-21H,10-11,17H2,1-9H3/t18-,20+,21-,26?/m0/s1
InChIKeyJTMPRUPSQGCXFI-VAHZHXLASA-N
XLogP7.31
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 57.31
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

[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
CID 10367657
[[(2S,4S,5R)-3,4-dimethyl-2-[(S)-naphthalen-2-yl(trimethylsilyloxy)methyl]-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
CID 10255788
[[(4S,5R)-3,4-dimethyl-2-[(R)-(2-nitrophenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
CID 23314916
N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine
CID 10743266
(2S,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 23416279
(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 10756696
(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 23416278
(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 58445883
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
CID 101240736
1-(3-phenyloxiran-2-yl)pentan-1-ol
CID 12642701
2-butyl-5-phenyldiazinan-1-amine
CID 174328698

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane?
The IUPAC name of [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane (CID 23004384) is [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane.
What is the SMILES notation for [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane?
The canonical SMILES for [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane is CCCC[C@H](O[Si](C)(C)C)P1(=N[Si](C)(C)C)O[C@H](c2ccccc2)[C@H](C)N1C.
What is the InChIKey of [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane?
The InChIKey is JTMPRUPSQGCXFI-VAHZHXLASA-N. The full InChI is InChI=1S/C21H41N2O2PSi2/c1-10-11-17-20(25-28(7,8)9)26(22-27(4,5)6)23(3)18(2)21(24-26)19-15-13-12-14-16-19/h12-16,18,20-21H,10-11,17H2,1-9H3/t18-,20+,21-,26?/m0/s1.
What are the key properties of [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane?
[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane has a molecular weight of 440.72 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane is sourced from PubChem (CID 23004384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).