[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid

C17H37NO5Si2 — CID 87421528

IUPAC[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)NC(=O)O
InChIInChI=1S/C17H37NO5Si2/c1-16(2,3)24(7,8)22-12-14(13(11-19)18-15(20)21)23-25(9,10)17(4,5)6/h11,13-14,18H,12H2,1-10H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyHOADYJCONZUIML-UONOGXRCSA-N
MW391.66 g/mol
LogP4.23
Rot. Bonds8

About [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid

[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid (PubChem CID 87421528) has the molecular formula C17H37NO5Si2 and a molecular weight of 391.66 g/mol. Its IUPAC name is [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid
PubChem CID87421528
Molecular FormulaC17H37NO5Si2
Molecular Weight391.66 g/mol
Exact Mass391.22
IUPAC Name[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)NC(=O)O
InChIInChI=1S/C17H37NO5Si2/c1-16(2,3)24(7,8)22-12-14(13(11-19)18-15(20)21)23-25(9,10)17(4,5)6/h11,13-14,18H,12H2,1-10H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyHOADYJCONZUIML-UONOGXRCSA-N
XLogP4.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
CID 87421525
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
[(2R,3S,4S,5R)-4-acetyloxy-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl] acetate
CID 52920984
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
CID 91455667
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]non-1-en-3-one
CID 132991371
methyl (4S,5S,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyheptanoate
CID 24828635
ethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpentanoate
CID 102382083
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one
CID 132991372
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid (CID 87421528) is [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid is CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)NC(=O)O.
What is the InChIKey of [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is HOADYJCONZUIML-UONOGXRCSA-N. The full InChI is InChI=1S/C17H37NO5Si2/c1-16(2,3)24(7,8)22-12-14(13(11-19)18-15(20)21)23-25(9,10)17(4,5)6/h11,13-14,18H,12H2,1-10H3,(H,20,21)/t13-,14+/m0/s1.
What are the key properties of [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid?
[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 391.66 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 87421528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).