methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate

C19H31NO3Si — CID 10904217

IUPACmethyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate
SMILESCOC(=O)NC(/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-15(23-24(6,7)19(2,3)4)13-14-17(20-18(21)22-5)16-11-9-8-10-12-16/h8-15,17H,1-7H3,(H,20,21)/b14-13+/t15-,17?/m0/s1
InChIKeyLUDNODRXIXACLX-WVXXVBDUSA-N
MW349.55 g/mol
LogP5.05
Rot. Bonds6

About methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate

methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate (PubChem CID 10904217) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate
PubChem CID10904217
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Namemethyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate
SMILESCOC(=O)NC(/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-15(23-24(6,7)19(2,3)4)13-14-17(20-18(21)22-5)16-11-9-8-10-12-16/h8-15,17H,1-7H3,(H,20,21)/b14-13+/t15-,17?/m0/s1
InChIKeyLUDNODRXIXACLX-WVXXVBDUSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate?
The IUPAC name of methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate (CID 10904217) is methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate.
What is the SMILES notation for methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate?
The canonical SMILES for methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate is COC(=O)NC(/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate?
The InChIKey is LUDNODRXIXACLX-WVXXVBDUSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-15(23-24(6,7)19(2,3)4)13-14-17(20-18(21)22-5)16-11-9-8-10-12-16/h8-15,17H,1-7H3,(H,20,21)/b14-13+/t15-,17?/m0/s1.
What are the key properties of methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate?
methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate has a molecular weight of 349.55 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate is sourced from PubChem (CID 10904217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).