(2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine

C20H31NOSi — CID 10246025

IUPAC(2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine
SMILESCC(C)(C)/N=C/C=C/C=C/CC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H31NOSi/c1-20(2,3)21-17-13-8-7-12-16-19(22-23(4,5)6)18-14-10-9-11-15-18/h7-15,17,19H,16H2,1-6H3/b12-7+,13-8+,21-17+
InChIKeyHGMHVHJOYFFTEJ-KSZQFQDYSA-N
MW329.56 g/mol
LogP5.95
Rot. Bonds7

About (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine

(2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine (PubChem CID 10246025) has the molecular formula C20H31NOSi and a molecular weight of 329.56 g/mol. Its IUPAC name is (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine
PubChem CID10246025
Molecular FormulaC20H31NOSi
Molecular Weight329.56 g/mol
Exact Mass329.22
IUPAC Name(2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine
SMILESCC(C)(C)/N=C/C=C/C=C/CC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H31NOSi/c1-20(2,3)21-17-13-8-7-12-16-19(22-23(4,5)6)18-14-10-9-11-15-18/h7-15,17,19H,16H2,1-6H3/b12-7+,13-8+,21-17+
InChIKeyHGMHVHJOYFFTEJ-KSZQFQDYSA-N
XLogP5.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

diethyl-[(3E)-1-phenylhexa-3,5-dienoxy]-trimethylsilyloxysilane
CID 102519221
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
7-methoxy-7-phenylhepta-2,4-dienoic acid
CID 74015255
[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
CID 15534325
triphenyl-[(3S)-3-phenyl-3-trimethylsilyloxypropyl]phosphanium
CID 18651664
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
dimethyl-phenyl-[(E)-5-phenyl-5-triethylsilyloxypent-2-enyl]silane
CID 101268888
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
7-methoxy-7-phenylhepta-2,4-dienoyl chloride
CID 91213709
chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 10729668
trimethyl-[1-phenyl-2-(2-trimethylsilylcyclopropen-1-yl)ethoxy]silane
CID 553301
1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine
CID 90458023

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine (CID 10246025) is (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine is CC(C)(C)/N=C/C=C/C=C/CC(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine?
The InChIKey is HGMHVHJOYFFTEJ-KSZQFQDYSA-N. The full InChI is InChI=1S/C20H31NOSi/c1-20(2,3)21-17-13-8-7-12-16-19(22-23(4,5)6)18-14-10-9-11-15-18/h7-15,17,19H,16H2,1-6H3/b12-7+,13-8+,21-17+.
What are the key properties of (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine?
(2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine has a molecular weight of 329.56 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-tert-butyl-7-phenyl-7-trimethylsilyloxyhepta-2,4-dien-1-imine is sourced from PubChem (CID 10246025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).