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

C24H49NO3Si — CID 11133718

IUPAC[(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H49NO3Si/c1-16(2)23(28-29(19(7)8,20(9)10)21(11)12)22(13)14-15-27-24(26)25(17(3)4)18(5)6/h14-23H,1-13H3/b15-14-/t22-,23+/m0/s1
InChIKeyRVKJTYZLNJLFKB-FJXFTSETSA-N
MW427.75 g/mol
LogP7.61
Rot. Bonds11

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

[(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 11133718) has the molecular formula C24H49NO3Si and a molecular weight of 427.75 g/mol. Its IUPAC name is [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID11133718
Molecular FormulaC24H49NO3Si
Molecular Weight427.75 g/mol
Exact Mass427.35
IUPAC Name[(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H49NO3Si/c1-16(2)23(28-29(19(7)8,20(9)10)21(11)12)22(13)14-15-27-24(26)25(17(3)4)18(5)6/h14-23H,1-13H3/b15-14-/t22-,23+/m0/s1
InChIKeyRVKJTYZLNJLFKB-FJXFTSETSA-N
XLogP7.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.75
LogP ≤ 57.61
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'}

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Related Compounds

[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 12031137
[(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
[(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
[(Z)-4-hydroxy-3,3-dimethyl-4-phenylpent-1-enyl] N,N-di(propan-2-yl)carbamate
CID 134902915
[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 13329873
[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631775
[(Z)-4-trimethylstannylpent-2-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 14492456
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
CID 91596847

Frequently Asked Questions

What is the IUPAC name of [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate (CID 11133718) is [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate is CC(C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is RVKJTYZLNJLFKB-FJXFTSETSA-N. The full InChI is InChI=1S/C24H49NO3Si/c1-16(2)23(28-29(19(7)8,20(9)10)21(11)12)22(13)14-15-27-24(26)25(17(3)4)18(5)6/h14-23H,1-13H3/b15-14-/t22-,23+/m0/s1.
What are the key properties of [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
[(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 427.75 g/mol, XLogP of 7.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11133718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).