tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate

C21H43NO4Si — CID 19697569

IUPACtert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate
SMILESCC(CCO[Si](C(C)C)(C(C)C)C(C)C)CC(C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H43NO4Si/c1-15(2)27(16(3)4,17(5)6)25-12-11-18(7)13-19(14-23)22-20(24)26-21(8,9)10/h14-19H,11-13H2,1-10H3,(H,22,24)
InChIKeyNHMVDNUBTKBODW-UHFFFAOYSA-N
MW401.66 g/mol
LogP5.69
Rot. Bonds11

About tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate

tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate (PubChem CID 19697569) has the molecular formula C21H43NO4Si and a molecular weight of 401.66 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate
PubChem CID19697569
Molecular FormulaC21H43NO4Si
Molecular Weight401.66 g/mol
Exact Mass401.30
IUPAC Nametert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate
SMILESCC(CCO[Si](C(C)C)(C(C)C)C(C)C)CC(C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H43NO4Si/c1-15(2)27(16(3)4,17(5)6)25-12-11-18(7)13-19(14-23)22-20(24)26-21(8,9)10/h14-19H,11-13H2,1-10H3,(H,22,24)
InChIKeyNHMVDNUBTKBODW-UHFFFAOYSA-N
XLogP5.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.66
LogP ≤ 55.69
H-Bond Donors ≤ 51
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

(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 20684799
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
tert-butyl N-[(4S,5S,7S)-2-(butylcarbamoyl)-4-hydroxy-7-methyl-9-tri(propan-2-yl)silyloxynon-1-en-5-yl]carbamate
CID 86752102
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 22961358
tert-butyl N-[(2S)-4-cyano-1-oxobutan-2-yl]carbamate
CID 45092144
tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate
CID 102122528
tert-butyl N-(1-oxohex-4-en-2-yl)carbamate
CID 71437064
tert-butyl N-[1-(difluoromethoxy)-3-oxopropan-2-yl]carbamate
CID 174201322
tert-butyl (7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoate
CID 145043689
tert-butyl N-methyl-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]carbamate
CID 123979140
tri(propan-2-yl)silyloxymethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 71472771
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate (CID 19697569) is tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate is CC(CCO[Si](C(C)C)(C(C)C)C(C)C)CC(C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate?
The InChIKey is NHMVDNUBTKBODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO4Si/c1-15(2)27(16(3)4,17(5)6)25-12-11-18(7)13-19(14-23)22-20(24)26-21(8,9)10/h14-19H,11-13H2,1-10H3,(H,22,24).
What are the key properties of tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate?
tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate has a molecular weight of 401.66 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate is sourced from PubChem (CID 19697569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).