1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea

C16H29N2OPSi — CID 15105653

IUPAC1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea
SMILESCN(C(=O)N(C)[Si](C)(C)C)P(c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H29N2OPSi/c1-16(2,3)20(14-12-10-9-11-13-14)17(4)15(19)18(5)21(6,7)8/h9-13H,1-8H3
InChIKeyRVLLTCLVJCZRNN-UHFFFAOYSA-N
MW324.48 g/mol
LogP4.33
Rot. Bonds3

About 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea

1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea (PubChem CID 15105653) has the molecular formula C16H29N2OPSi and a molecular weight of 324.48 g/mol. Its IUPAC name is 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea.

Molecular Properties

Compound Name1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea
PubChem CID15105653
Molecular FormulaC16H29N2OPSi
Molecular Weight324.48 g/mol
Exact Mass324.18
IUPAC Name1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea
SMILESCN(C(=O)N(C)[Si](C)(C)C)P(c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H29N2OPSi/c1-16(2,3)20(14-12-10-9-11-13-14)17(4)15(19)18(5)21(6,7)8/h9-13H,1-8H3
InChIKeyRVLLTCLVJCZRNN-UHFFFAOYSA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
CID 15105654
1,3-Bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea
CID 15105656

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea?
The IUPAC name of 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea (CID 15105653) is 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea.
What is the SMILES notation for 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea?
The canonical SMILES for 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea is CN(C(=O)N(C)[Si](C)(C)C)P(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea?
The InChIKey is RVLLTCLVJCZRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N2OPSi/c1-16(2,3)20(14-12-10-9-11-13-14)17(4)15(19)18(5)21(6,7)8/h9-13H,1-8H3.
What are the key properties of 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea?
1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea has a molecular weight of 324.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(phenyl)phosphanyl]-1,3-dimethyl-3-trimethylsilylurea is sourced from PubChem (CID 15105653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).