tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate

C31H45NO5Si — CID 134835663

IUPACtert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C=C)OCOC
InChIInChI=1S/C31H45NO5Si/c1-10-22-32(29(33)37-30(3,4)5)27(28(11-2)35-24-34-9)23-36-38(31(6,7)8,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h10-21,27-28H,1-2,22-24H2,3-9H3/t27-,28-/m0/s1
InChIKeyFWLQOHYCAHVUSK-NSOVKSMOSA-N
MW539.79 g/mol
LogP5.53
Rot. Bonds13

About tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate (PubChem CID 134835663) has the molecular formula C31H45NO5Si and a molecular weight of 539.79 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
PubChem CID134835663
Molecular FormulaC31H45NO5Si
Molecular Weight539.79 g/mol
Exact Mass539.31
IUPAC Nametert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C=C)OCOC
InChIInChI=1S/C31H45NO5Si/c1-10-22-32(29(33)37-30(3,4)5)27(28(11-2)35-24-34-9)23-36-38(31(6,7)8,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h10-21,27-28H,1-2,22-24H2,3-9H3/t27-,28-/m0/s1
InChIKeyFWLQOHYCAHVUSK-NSOVKSMOSA-N
XLogP5.53
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.79
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
CID 134835598
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134835664
tert-butyl (4S)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840091
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840127
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 135066877
tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11155185
tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
CID 11155866
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11235964
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]-N-propan-2-ylcarbamate
CID 58007354
1,1-dimethylethyl (2S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-3,6-dihydro-1(2H)-pyridinecarboxylate
CID 59363640
tert-butyl 4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59866630

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate (CID 134835663) is tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C=C)OCOC.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
The InChIKey is FWLQOHYCAHVUSK-NSOVKSMOSA-N. The full InChI is InChI=1S/C31H45NO5Si/c1-10-22-32(29(33)37-30(3,4)5)27(28(11-2)35-24-34-9)23-36-38(31(6,7)8,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h10-21,27-28H,1-2,22-24H2,3-9H3/t27-,28-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate has a molecular weight of 539.79 g/mol, XLogP of 5.53, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 134835663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).