benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate

C23H39NO5Si — CID 10939048

IUPACbenzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](COC1CCCCO1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H39NO5Si/c1-23(2,3)30(4,5)29-16-14-20(18-27-21-13-9-10-15-26-21)24-22(25)28-17-19-11-7-6-8-12-19/h6-8,11-12,20-21H,9-10,13-18H2,1-5H3,(H,24,25)/t20-,21?/m0/s1
InChIKeyMVUBZWKFDHFDQP-BGERDNNASA-N
MW437.65 g/mol
LogP5.24
Rot. Bonds10

About benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate

benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate (PubChem CID 10939048) has the molecular formula C23H39NO5Si and a molecular weight of 437.65 g/mol. Its IUPAC name is benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate
PubChem CID10939048
Molecular FormulaC23H39NO5Si
Molecular Weight437.65 g/mol
Exact Mass437.26
IUPAC Namebenzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](COC1CCCCO1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H39NO5Si/c1-23(2,3)30(4,5)29-16-14-20(18-27-21-13-9-10-15-26-21)24-22(25)28-17-19-11-7-6-8-12-19/h6-8,11-12,20-21H,9-10,13-18H2,1-5H3,(H,24,25)/t20-,21?/m0/s1
InChIKeyMVUBZWKFDHFDQP-BGERDNNASA-N
XLogP5.24
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Epipurpurosamine B
CID 127266
benzyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10526313
tert-butyl N-[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4-(phenylmethoxymethyl)pentan-2-yl]carbamate
CID 11071025
tert-butyl N-[(2R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4-(phenylmethoxymethyl)pentan-2-yl]carbamate
CID 11123826
tert-butyl N-[(E,2S,3R)-3-fluoro-1-[(2R,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]carbamate
CID 58123231
tert-butyl N-[(2S,3R)-3-fluoro-1-[(2R,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxypent-4-en-2-yl]carbamate
CID 58123235
tert-butyl N-[(E,2S,3R)-3-fluoro-1-[(2S,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]carbamate
CID 68105277
tert-butyl N-[(2S,3R)-3-fluoro-1-[(2S,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxypent-4-en-2-yl]carbamate
CID 68105279
Benzyl 2,2-diethoxyethylcarbamate
CID 292521
benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]carbamate
CID 11068191
tri(propan-2-yl)silyloxymethyl (2S)-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoate
CID 11203105
tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 12169283

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate (CID 10939048) is benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate is CC(C)(C)[Si](C)(C)OCC[C@@H](COC1CCCCO1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate?
The InChIKey is MVUBZWKFDHFDQP-BGERDNNASA-N. The full InChI is InChI=1S/C23H39NO5Si/c1-23(2,3)30(4,5)29-16-14-20(18-27-21-13-9-10-15-26-21)24-22(25)28-17-19-11-7-6-8-12-19/h6-8,11-12,20-21H,9-10,13-18H2,1-5H3,(H,24,25)/t20-,21?/m0/s1.
What are the key properties of benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate?
benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate has a molecular weight of 437.65 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)butan-2-yl]carbamate is sourced from PubChem (CID 10939048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).