[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid

C10H23NO4Si — CID 22607409

IUPAC[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CO)NC(=O)O
InChIInChI=1S/C10H23NO4Si/c1-10(2,3)16(4,5)15-7-8(6-12)11-9(13)14/h8,11-12H,6-7H2,1-5H3,(H,13,14)
InChIKeyWOJKJCCWWMSEJZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.64
Rot. Bonds5

About [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid

[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid (PubChem CID 22607409) has the molecular formula C10H23NO4Si and a molecular weight of 249.38 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
PubChem CID22607409
Molecular FormulaC10H23NO4Si
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CO)NC(=O)O
InChIInChI=1S/C10H23NO4Si/c1-10(2,3)16(4,5)15-7-8(6-12)11-9(13)14/h8,11-12H,6-7H2,1-5H3,(H,13,14)
InChIKeyWOJKJCCWWMSEJZ-UHFFFAOYSA-N
XLogP1.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
CID 87382476
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid
CID 18672180
1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-N-methylpropan-2-amine
CID 71418024
[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid
CID 87421528
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
CID 87421525
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 156694094
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
2-[bis[2-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]acetamide
CID 102390825
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid (CID 22607409) is [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid is CC(C)(C)[Si](C)(C)OCC(CO)NC(=O)O.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid?
The InChIKey is WOJKJCCWWMSEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4Si/c1-10(2,3)16(4,5)15-7-8(6-12)11-9(13)14/h8,11-12H,6-7H2,1-5H3,(H,13,14).
What are the key properties of [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid?
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid has a molecular weight of 249.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid is sourced from PubChem (CID 22607409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).