tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate

C25H35NO3Si — CID 10502512

IUPACtert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
SMILESC=CC[C@@](O)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H35NO3Si/c1-7-18-25(28,30(5,6)21-16-12-9-13-17-21)22(19-20-14-10-8-11-15-20)26-23(27)29-24(2,3)4/h7-17,22,28H,1,18-19H2,2-6H3,(H,26,27)/t22-,25-/m0/s1
InChIKeyGGLKVOLRWCUSNU-DHLKQENFSA-N
MW425.65 g/mol
LogP4.58
Rot. Bonds8

About tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate

tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate (PubChem CID 10502512) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
PubChem CID10502512
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Nametert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
SMILESC=CC[C@@](O)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H35NO3Si/c1-7-18-25(28,30(5,6)21-16-12-9-13-17-21)22(19-20-14-10-8-11-15-20)26-23(27)29-24(2,3)4/h7-17,22,28H,1,18-19H2,2-6H3,(H,26,27)/t22-,25-/m0/s1
InChIKeyGGLKVOLRWCUSNU-DHLKQENFSA-N
XLogP4.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452451
L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452453
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl](methyl)amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455720
Aminodiol deriv. 15a
CID 455712
((1S,2S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino-2,3-dihydroxy-5-phenyl-pentyl)-carbamic acid tert-butyl ester
CID 10255433
tert-butyl N-[(2R)-2-hydroxy-1-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-5-phenylpentan-3-yl]carbamate
CID 44294678
tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
CID 481792
tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3R)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
CID 481804

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate (CID 10502512) is tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate is C=CC[C@@](O)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
The InChIKey is GGLKVOLRWCUSNU-DHLKQENFSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-7-18-25(28,30(5,6)21-16-12-9-13-17-21)22(19-20-14-10-8-11-15-20)26-23(27)29-24(2,3)4/h7-17,22,28H,1,18-19H2,2-6H3,(H,26,27)/t22-,25-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate has a molecular weight of 425.65 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate is sourced from PubChem (CID 10502512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).