methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate

C16H25NO3Si — CID 101242323

IUPACmethyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate
SMILESCOC(=O)N[C@@H](/C=C/c1ccccc1)[C@H](C)O[Si](C)(C)C
InChIInChI=1S/C16H25NO3Si/c1-13(20-21(3,4)5)15(17-16(18)19-2)12-11-14-9-7-6-8-10-14/h6-13,15H,1-5H3,(H,17,18)/b12-11+/t13-,15-/m0/s1
InChIKeyFWGJKIKMPUFESP-BJKSPJJASA-N
MW307.47 g/mol
LogP3.66
Rot. Bonds6

About methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate

methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate (PubChem CID 101242323) has the molecular formula C16H25NO3Si and a molecular weight of 307.47 g/mol. Its IUPAC name is methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate
PubChem CID101242323
Molecular FormulaC16H25NO3Si
Molecular Weight307.47 g/mol
Exact Mass307.16
IUPAC Namemethyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate
SMILESCOC(=O)N[C@@H](/C=C/c1ccccc1)[C@H](C)O[Si](C)(C)C
InChIInChI=1S/C16H25NO3Si/c1-13(20-21(3,4)5)15(17-16(18)19-2)12-11-14-9-7-6-8-10-14/h6-13,15H,1-5H3,(H,17,18)/b12-11+/t13-,15-/m0/s1
InChIKeyFWGJKIKMPUFESP-BJKSPJJASA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2-acetyl-3-(methoxycarbonylamino)-5-phenylpent-4-enoate
CID 24867829
prop-2-enyl (E,3R)-2-acetyl-3-(methoxycarbonylamino)-5-phenylpent-4-enoate
CID 102186140
tert-butyl N-[(E,1R,2S)-1-hydroxy-1,4-diphenylbut-3-en-2-yl]carbamate
CID 122224320
tert-butyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
CID 10955879
ethyl N-[(E)-4-nitro-1-phenylpent-1-en-3-yl]carbamate
CID 146187249
[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate
CID 10882459
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
(2Z,6E)-3,5-dimethoxy-4-methyl-7-phenylhepta-2,6-dienoic acid
CID 22000934
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate?
The IUPAC name of methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate (CID 101242323) is methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate.
What is the SMILES notation for methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate?
The canonical SMILES for methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate is COC(=O)N[C@@H](/C=C/c1ccccc1)[C@H](C)O[Si](C)(C)C.
What is the InChIKey of methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate?
The InChIKey is FWGJKIKMPUFESP-BJKSPJJASA-N. The full InChI is InChI=1S/C16H25NO3Si/c1-13(20-21(3,4)5)15(17-16(18)19-2)12-11-14-9-7-6-8-10-14/h6-13,15H,1-5H3,(H,17,18)/b12-11+/t13-,15-/m0/s1.
What are the key properties of methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate?
methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate has a molecular weight of 307.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate is sourced from PubChem (CID 101242323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).