[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane

C24H39N2O2PSi2 — CID 10367657

IUPAC[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
SMILESCc1ccc([C@H](O[Si](C)(C)C)[P@]2(=N[Si](C)(C)C)O[C@H](c3ccccc3)[C@H](C)N2C)cc1
InChIInChI=1S/C24H39N2O2PSi2/c1-19-15-17-22(18-16-19)24(28-31(7,8)9)29(25-30(4,5)6)26(3)20(2)23(27-29)21-13-11-10-12-14-21/h10-18,20,23-24H,1-9H3/t20-,23-,24+,29+/m0/s1
InChIKeyNTRVIBLCMJHUSQ-HTZDSBNASA-N
MW474.73 g/mol
LogP7.80
Rot. Bonds6

About [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane

[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane (PubChem CID 10367657) has the molecular formula C24H39N2O2PSi2 and a molecular weight of 474.73 g/mol. Its IUPAC name is [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane.

Molecular Properties

Compound Name[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
PubChem CID10367657
Molecular FormulaC24H39N2O2PSi2
Molecular Weight474.73 g/mol
Exact Mass474.23
IUPAC Name[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
SMILESCc1ccc([C@H](O[Si](C)(C)C)[P@]2(=N[Si](C)(C)C)O[C@H](c3ccccc3)[C@H](C)N2C)cc1
InChIInChI=1S/C24H39N2O2PSi2/c1-19-15-17-22(18-16-19)24(28-31(7,8)9)29(25-30(4,5)6)26(3)20(2)23(27-29)21-13-11-10-12-14-21/h10-18,20,23-24H,1-9H3/t20-,23-,24+,29+/m0/s1
InChIKeyNTRVIBLCMJHUSQ-HTZDSBNASA-N
XLogP7.80
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 57.80
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-[(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
[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane
CID 23004384
[[1,3-dimethyl-2-[phenyl(trimethylsilyloxy)methyl]-1,3,2lambda5-diazaphospholidin-2-ylidene]amino]-trimethylsilane
CID 10971020
(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 58445883
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
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 90152202
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806

Frequently Asked Questions

What is the IUPAC name of [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
The IUPAC name of [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane (CID 10367657) is [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane.
What is the SMILES notation for [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
The canonical SMILES for [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane is Cc1ccc([C@H](O[Si](C)(C)C)[P@]2(=N[Si](C)(C)C)O[C@H](c3ccccc3)[C@H](C)N2C)cc1.
What is the InChIKey of [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
The InChIKey is NTRVIBLCMJHUSQ-HTZDSBNASA-N. The full InChI is InChI=1S/C24H39N2O2PSi2/c1-19-15-17-22(18-16-19)24(28-31(7,8)9)29(25-30(4,5)6)26(3)20(2)23(27-29)21-13-11-10-12-14-21/h10-18,20,23-24H,1-9H3/t20-,23-,24+,29+/m0/s1.
What are the key properties of [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane?
[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane has a molecular weight of 474.73 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane is sourced from PubChem (CID 10367657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).