[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate

C13H22NO6PSi — CID 139986855

IUPAC[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate
SMILESC[Si](C)(C)CCOP(=O)(O)Oc1ccccc1COC(N)=O
InChIInChI=1S/C13H22NO6PSi/c1-22(2,3)9-8-19-21(16,17)20-12-7-5-4-6-11(12)10-18-13(14)15/h4-7H,8-10H2,1-3H3,(H2,14,15)(H,16,17)
InChIKeyLSXOPLRUSJTYGB-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.12
Rot. Bonds8

About [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate

[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate (PubChem CID 139986855) has the molecular formula C13H22NO6PSi and a molecular weight of 347.38 g/mol. Its IUPAC name is [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate.

Molecular Properties

Compound Name[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate
PubChem CID139986855
Molecular FormulaC13H22NO6PSi
Molecular Weight347.38 g/mol
Exact Mass347.10
IUPAC Name[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate
SMILESC[Si](C)(C)CCOP(=O)(O)Oc1ccccc1COC(N)=O
InChIInChI=1S/C13H22NO6PSi/c1-22(2,3)9-8-19-21(16,17)20-12-7-5-4-6-11(12)10-18-13(14)15/h4-7H,8-10H2,1-3H3,(H2,14,15)(H,16,17)
InChIKeyLSXOPLRUSJTYGB-UHFFFAOYSA-N
XLogP3.12
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
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

[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate
CID 139986850
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
CID 139450592
2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 19380802
2-trimethylsilylethyl 2-diphenoxyphosphorylacetate
CID 11257863
hexyl (2-hydroxyphenyl) hydrogen phosphate
CID 10978666
[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate
CID 91424254
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate
CID 11724567
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-fluorophenyl]methyl N-[2-[(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]carbamate
CID 87309817

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate?
The IUPAC name of [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate (CID 139986855) is [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate.
What is the SMILES notation for [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate?
The canonical SMILES for [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate is C[Si](C)(C)CCOP(=O)(O)Oc1ccccc1COC(N)=O.
What is the InChIKey of [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate?
The InChIKey is LSXOPLRUSJTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO6PSi/c1-22(2,3)9-8-19-21(16,17)20-12-7-5-4-6-11(12)10-18-13(14)15/h4-7H,8-10H2,1-3H3,(H2,14,15)(H,16,17).
What are the key properties of [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate?
[2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate has a molecular weight of 347.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyphenyl]methyl carbamate is sourced from PubChem (CID 139986855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).