tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate

C32H39NO5 — CID 134847060

IUPACtert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate
SMILESC=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C32H39NO5/c1-5-29(36-22-26-17-11-7-12-18-26)30(37-23-27-19-13-8-14-20-27)28(33-31(34)38-32(2,3)4)24-35-21-25-15-9-6-10-16-25/h5-20,28-30H,1,21-24H2,2-4H3,(H,33,34)/t28-,29-,30-/m1/s1
InChIKeyRYYMBTHQTKQIKO-IDZRBWSNSA-N
MW517.67 g/mol
LogP6.45
Rot. Bonds14

About tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate

tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate (PubChem CID 134847060) has the molecular formula C32H39NO5 and a molecular weight of 517.67 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate
PubChem CID134847060
Molecular FormulaC32H39NO5
Molecular Weight517.67 g/mol
Exact Mass517.28
IUPAC Nametert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate
SMILESC=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C32H39NO5/c1-5-29(36-22-26-17-11-7-12-18-26)30(37-23-27-19-13-8-14-20-27)28(33-31(34)38-32(2,3)4)24-35-21-25-15-9-6-10-16-25/h5-20,28-30H,1,21-24H2,2-4H3,(H,33,34)/t28-,29-,30-/m1/s1
InChIKeyRYYMBTHQTKQIKO-IDZRBWSNSA-N
XLogP6.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 273367
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CID 44373569
tert-butyl N-[(2S,3R)-3-fluoro-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypent-4-en-2-yl]carbamate
CID 56954329
Di-tert-butyl (((oxybis(ethane-2,1-diyl))bis(oxy))bis(2-(3-fluorophenyl)ethane-2,1-diyl))dicarbamate
CID 171661709
pent-4-enyl N-(1-trityloxybut-3-en-2-yl)carbamate
CID 10972236
benzyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)propyl]carbamate
CID 134920344
(R)-3-Benzyloxy-2-(tert-butoxycarbonylamino)-propane
CID 11254115
tert-butyl N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]nonadecan-3-yl]carbamate
CID 11845711
Benzyl O-benzyl-N-(tert-butoxycarbonyl)-L-serinate
CID 13384475
(2S,3R,4R,5S)-2,5-bis-(N-(((benzyl)oxy)carbonyl)amino)-3,4-epoxy-1,6-diphenylhexane
CID 15384541
benzyl N-[(1S,4R,5S)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate
CID 17758489
N-t-butyloxycarbonyltris(benzyloxymethyl)aminomethane
CID 21628003

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate (CID 134847060) is tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate is C=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate?
The InChIKey is RYYMBTHQTKQIKO-IDZRBWSNSA-N. The full InChI is InChI=1S/C32H39NO5/c1-5-29(36-22-26-17-11-7-12-18-26)30(37-23-27-19-13-8-14-20-27)28(33-31(34)38-32(2,3)4)24-35-21-25-15-9-6-10-16-25/h5-20,28-30H,1,21-24H2,2-4H3,(H,33,34)/t28-,29-,30-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate?
tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate has a molecular weight of 517.67 g/mol, XLogP of 6.45, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,4R)-1,3,4-tris(phenylmethoxy)hex-5-en-2-yl]carbamate is sourced from PubChem (CID 134847060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).