[2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate

C13H29NO3Si — CID 167567951

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO3Si/c1-12(2,3)10(9-16-11(14)15)17-18(7,8)13(4,5)6/h10H,9H2,1-8H3,(H2,14,15)
InChIKeyFNJANEDEPIAPRC-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.52
Rot. Bonds4

About [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate

[2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate (PubChem CID 167567951) has the molecular formula C13H29NO3Si and a molecular weight of 275.46 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate
PubChem CID167567951
Molecular FormulaC13H29NO3Si
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO3Si/c1-12(2,3)10(9-16-11(14)15)17-18(7,8)13(4,5)6/h10H,9H2,1-8H3,(H2,14,15)
InChIKeyFNJANEDEPIAPRC-UHFFFAOYSA-N
XLogP3.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxohexanoic acid
CID 101339445
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
(E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,8,8-tetramethylnon-2-enoic acid
CID 54671878
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
CID 150297531
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
CID 141326729

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate (CID 167567951) is [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate is CC(C)(C)C(COC(N)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate?
The InChIKey is FNJANEDEPIAPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-12(2,3)10(9-16-11(14)15)17-18(7,8)13(4,5)6/h10H,9H2,1-8H3,(H2,14,15).
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate?
[2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate has a molecular weight of 275.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] carbamate is sourced from PubChem (CID 167567951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).