[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate

C21H43NO3Si — CID 12031137

IUPAC[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@H](C)/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C21H43NO3Si/c1-11-26(12-2,13-3)25-20(16(4)5)19(10)14-15-24-21(23)22(17(6)7)18(8)9/h14-20H,11-13H2,1-10H3/b15-14-/t19-,20+/m1/s1
InChIKeyONJNSMWQZFDVFO-YLRLEHAUSA-N
MW385.67 g/mol
LogP6.44
Rot. Bonds11

About [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate

[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 12031137) has the molecular formula C21H43NO3Si and a molecular weight of 385.67 g/mol. Its IUPAC name is [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID12031137
Molecular FormulaC21H43NO3Si
Molecular Weight385.67 g/mol
Exact Mass385.30
IUPAC Name[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@H](C)/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C21H43NO3Si/c1-11-26(12-2,13-3)25-20(16(4)5)19(10)14-15-24-21(23)22(17(6)7)18(8)9/h14-20H,11-13H2,1-10H3/b15-14-/t19-,20+/m1/s1
InChIKeyONJNSMWQZFDVFO-YLRLEHAUSA-N
XLogP6.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.67
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate with MolForge

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Related Compounds

[(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 11133718
[(Z,3S,4S)-4-hydroxy-3,5,5-trimethylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 101418704
[(Z,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-3-methylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 11003928
(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal
CID 15440865
[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 135050712
methyl (Z,2R)-4-[di(propan-2-yl)carbamoyloxy]-2-phenylbut-3-enoate
CID 100924638
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
CID 175194791
methyl (E,4S,5R,6S)-4,6-dimethyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733874
[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate
CID 101343519
[(Z)-4-hydroxy-3,3-dimethyl-4-phenylpent-1-enyl] N,N-di(propan-2-yl)carbamate
CID 134902915
[(Z)-3-phenyl-1-trimethylsilylprop-1-enyl] N,N-di(propan-2-yl)carbamate
CID 101343522
[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 132534346

Frequently Asked Questions

What is the IUPAC name of [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate (CID 12031137) is [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate is CC[Si](CC)(CC)O[C@@H](C(C)C)[C@H](C)/C=C\OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is ONJNSMWQZFDVFO-YLRLEHAUSA-N. The full InChI is InChI=1S/C21H43NO3Si/c1-11-26(12-2,13-3)25-20(16(4)5)19(10)14-15-24-21(23)22(17(6)7)18(8)9/h14-20H,11-13H2,1-10H3/b15-14-/t19-,20+/m1/s1.
What are the key properties of [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 385.67 g/mol, XLogP of 6.44, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 12031137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).