(Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide

C28H55NO2Si — CID 163319722

IUPAC(Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide
SMILESC/C=C\CCC(CC)C(=O)NCCC[C@@H](CC)[C@@H](CC/C(C)=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H55NO2Si/c1-11-15-16-18-25(14-4)27(30)29-22-17-19-24(13-3)26(21-20-23(5)12-2)31-32(9,10)28(6,7)8/h11-12,15,24-26H,13-14,16-22H2,1-10H3,(H,29,30)/b15-11-,23-12+/t24-,25?,26-/m1/s1
InChIKeyRLVMYMGKZSQNPX-FLKDCCTPSA-N
MW465.84 g/mol
LogP8.43
Rot. Bonds16

About (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide

(Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide (PubChem CID 163319722) has the molecular formula C28H55NO2Si and a molecular weight of 465.84 g/mol. Its IUPAC name is (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide.

Molecular Properties

Compound Name(Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide
PubChem CID163319722
Molecular FormulaC28H55NO2Si
Molecular Weight465.84 g/mol
Exact Mass465.40
IUPAC Name(Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide
SMILESC/C=C\CCC(CC)C(=O)NCCC[C@@H](CC)[C@@H](CC/C(C)=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H55NO2Si/c1-11-15-16-18-25(14-4)27(30)29-22-17-19-24(13-3)26(21-20-23(5)12-2)31-32(9,10)28(6,7)8/h11-12,15,24-26H,13-14,16-22H2,1-10H3,(H,29,30)/b15-11-,23-12+/t24-,25?,26-/m1/s1
InChIKeyRLVMYMGKZSQNPX-FLKDCCTPSA-N
XLogP8.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.84
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide with MolForge

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Related Compounds

N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide
CID 73178317
[(2S,3S,4R,5R,6R)-5-acetyloxy-6-[(5R,6R)-6-ethyl-9-[[(2R)-2-ethylhex-5-enoyl]amino]-2-methylnon-1-en-5-yl]oxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 10908421
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917
tert-butyl 2-ethylnon-7-enoate
CID 141062972
2-ethyl-N-pentylhexanamide
CID 5123867
N-[(E)-but-2-enyl]-2-ethylpentanamide
CID 178010270
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
[(Z)-2-ethyloct-6-enoyl] (Z)-2-propylhept-5-enoate
CID 175339992
(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one
CID 135037790
(E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide
CID 90266203
(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
CID 90266134
2-ethylnon-7-enoic acid
CID 143730555

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
The IUPAC name of (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide (CID 163319722) is (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide.
What is the SMILES notation for (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
The canonical SMILES for (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide is C/C=C\CCC(CC)C(=O)NCCC[C@@H](CC)[C@@H](CC/C(C)=C/C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
The InChIKey is RLVMYMGKZSQNPX-FLKDCCTPSA-N. The full InChI is InChI=1S/C28H55NO2Si/c1-11-15-16-18-25(14-4)27(30)29-22-17-19-24(13-3)26(21-20-23(5)12-2)31-32(9,10)28(6,7)8/h11-12,15,24-26H,13-14,16-22H2,1-10H3,(H,29,30)/b15-11-,23-12+/t24-,25?,26-/m1/s1.
What are the key properties of (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
(Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide has a molecular weight of 465.84 g/mol, XLogP of 8.43, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide is sourced from PubChem (CID 163319722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).