(E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine

C20H37NOSi — CID 154721262

IUPAC(E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine
SMILESCO/N=C/C(CC#C[Si](C(C)C)(C(C)C)C(C)C)CC=C(C)C
InChIInChI=1S/C20H37NOSi/c1-16(2)12-13-20(15-21-22-9)11-10-14-23(17(3)4,18(5)6)19(7)8/h12,15,17-20H,11,13H2,1-9H3/b21-15+
InChIKeyXNJUDLMZDLGEOF-RCCKNPSSSA-N
MW335.61 g/mol
LogP6.20
Rot. Bonds8

About (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine

(E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine (PubChem CID 154721262) has the molecular formula C20H37NOSi and a molecular weight of 335.61 g/mol. Its IUPAC name is (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine
PubChem CID154721262
Molecular FormulaC20H37NOSi
Molecular Weight335.61 g/mol
Exact Mass335.26
IUPAC Name(E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine
SMILESCO/N=C/C(CC#C[Si](C(C)C)(C(C)C)C(C)C)CC=C(C)C
InChIInChI=1S/C20H37NOSi/c1-16(2)12-13-20(15-21-22-9)11-10-14-23(17(3)4,18(5)6)19(7)8/h12,15,17-20H,11,13H2,1-9H3/b21-15+
InChIKeyXNJUDLMZDLGEOF-RCCKNPSSSA-N
XLogP6.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.61
LogP ≤ 56.20
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne
CID 134995226
4-tri(propan-2-yl)silylbut-3-yn-1-ol
CID 10609315
3-(methoxymethoxy)prop-1-ynyl-tri(propan-2-yl)silane
CID 11253879
[(4R)-4,8-dimethylnon-7-en-1-ynyl]-trimethylsilane
CID 11390445
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
CID 164687145
(E)-N-methoxy-3-methylbut-2-en-1-imine
CID 177464066
2-(3-methylbut-2-enyl)butanedial
CID 88557096
(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine
CID 13272513
3,3-difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 15495754
(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol
CID 11481868
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine?
The IUPAC name of (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine (CID 154721262) is (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine.
What is the SMILES notation for (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine?
The canonical SMILES for (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine is CO/N=C/C(CC#C[Si](C(C)C)(C(C)C)C(C)C)CC=C(C)C.
What is the InChIKey of (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine?
The InChIKey is XNJUDLMZDLGEOF-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H37NOSi/c1-16(2)12-13-20(15-21-22-9)11-10-14-23(17(3)4,18(5)6)19(7)8/h12,15,17-20H,11,13H2,1-9H3/b21-15+.
What are the key properties of (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine?
(E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine has a molecular weight of 335.61 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine is sourced from PubChem (CID 154721262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).