(2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide

C21H41NO2Si — CID 88857389

IUPAC(2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide
SMILESC/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41NO2Si/c1-11-12-14-18(24-25(9,10)21(6,7)8)15-13-16-22-19(23)17(2)20(3,4)5/h11-13,16-18H,14-15H2,1-10H3,(H,22,23)/b12-11-,16-13-/t17-,18+/m1/s1
InChIKeyAIKCBYMUWFMOTC-JWBGIMEXSA-N
MW367.65 g/mol
LogP6.05
Rot. Bonds8

About (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide

(2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide (PubChem CID 88857389) has the molecular formula C21H41NO2Si and a molecular weight of 367.65 g/mol. Its IUPAC name is (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide
PubChem CID88857389
Molecular FormulaC21H41NO2Si
Molecular Weight367.65 g/mol
Exact Mass367.29
IUPAC Name(2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide
SMILESC/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41NO2Si/c1-11-12-14-18(24-25(9,10)21(6,7)8)15-13-16-22-19(23)17(2)20(3,4)5/h11-13,16-18H,14-15H2,1-10H3,(H,22,23)/b12-11-,16-13-/t17-,18+/m1/s1
InChIKeyAIKCBYMUWFMOTC-JWBGIMEXSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.65
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide?
The IUPAC name of (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide (CID 88857389) is (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide is C/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide?
The InChIKey is AIKCBYMUWFMOTC-JWBGIMEXSA-N. The full InChI is InChI=1S/C21H41NO2Si/c1-11-12-14-18(24-25(9,10)21(6,7)8)15-13-16-22-19(23)17(2)20(3,4)5/h11-13,16-18H,14-15H2,1-10H3,(H,22,23)/b12-11-,16-13-/t17-,18+/m1/s1.
What are the key properties of (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide?
(2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide has a molecular weight of 367.65 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1Z,4S,6Z)-4-[tert-butyl(dimethyl)silyl]oxyocta-1,6-dienyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 88857389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).