tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate

C16H33NO4Si — CID 23239903

IUPACtert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C\CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)21-14(19)17-13(10-9-11-18)12-20-22(7,8)16(4,5)6/h9-10,13,18H,11-12H2,1-8H3,(H,17,19)/b10-9-
InChIKeyAXDDRGRBHPMJKD-KTKRTIGZSA-N
MW331.53 g/mol
LogP3.45
Rot. Bonds6

About tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate

tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate (PubChem CID 23239903) has the molecular formula C16H33NO4Si and a molecular weight of 331.53 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
PubChem CID23239903
Molecular FormulaC16H33NO4Si
Molecular Weight331.53 g/mol
Exact Mass331.22
IUPAC Nametert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C\CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)21-14(19)17-13(10-9-11-18)12-20-22(7,8)16(4,5)6/h9-10,13,18H,11-12H2,1-8H3,(H,17,19)/b10-9-
InChIKeyAXDDRGRBHPMJKD-KTKRTIGZSA-N
XLogP3.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
CID 91455667
tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
CID 178201497
tert-butyl N-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpent-4-en-2-yl]carbamate
CID 10958910
tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 130003566
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxononan-2-yl]carbamate
CID 11523916
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyphenyl)ethyl]carbamate
CID 171372732
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
tert-butyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyphenyl)ethyl]carbamate
CID 170552704
tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
CID 164575135
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate (CID 23239903) is tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate is CC(C)(C)OC(=O)NC(/C=C\CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate?
The InChIKey is AXDDRGRBHPMJKD-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H33NO4Si/c1-15(2,3)21-14(19)17-13(10-9-11-18)12-20-22(7,8)16(4,5)6/h9-10,13,18H,11-12H2,1-8H3,(H,17,19)/b10-9-.
What are the key properties of tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate?
tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate has a molecular weight of 331.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate is sourced from PubChem (CID 23239903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).