2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid

C19H25NO3Si — CID 22242877

IUPAC2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid
SMILESCC(C)(C)[Si](OCCNC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3Si/c1-19(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-15-14-20-18(21)22/h4-13,20H,14-15H2,1-3H3,(H,21,22)
InChIKeyPRTUYBNVVZNWGW-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.83
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid

2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid (PubChem CID 22242877) has the molecular formula C19H25NO3Si and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid
PubChem CID22242877
Molecular FormulaC19H25NO3Si
Molecular Weight343.50 g/mol
Exact Mass343.16
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid
SMILESCC(C)(C)[Si](OCCNC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3Si/c1-19(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-15-14-20-18(21)22/h4-13,20H,14-15H2,1-3H3,(H,21,22)
InChIKeyPRTUYBNVVZNWGW-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
Tert-butyl 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 140870521
[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamic acid
CID 141522148
[3-[Tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamic acid
CID 153675504
[3-[Tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-fluorocarbamic acid
CID 173677873
[(2E)-4-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)butyl]carbamic acid
CID 173850650
[4-[Tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)butyl]carbamic acid
CID 173850651

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid (CID 22242877) is 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid is CC(C)(C)[Si](OCCNC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid?
The InChIKey is PRTUYBNVVZNWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3Si/c1-19(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-15-14-20-18(21)22/h4-13,20H,14-15H2,1-3H3,(H,21,22).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid?
2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid has a molecular weight of 343.50 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxyethylcarbamic acid is sourced from PubChem (CID 22242877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).