(Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine

C19H39NO4Si2 — CID 134836943

IUPAC(Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine
SMILESCO/N=C(/C)[C@H]1CC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C19H39NO4Si2/c1-14(20-22-6)15-12-13-16(23-25(7,8)9)18(17(15)21-5)24-26(10,11)19(2,3)4/h13,15,17-18H,12H2,1-11H3/b20-14-/t15-,17-,18-/m1/s1
InChIKeyVTKHFJRDDOSHNU-KUVDVUPZSA-N
MW401.70 g/mol
LogP5.17
Rot. Bonds7

About (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine

(Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine (PubChem CID 134836943) has the molecular formula C19H39NO4Si2 and a molecular weight of 401.70 g/mol. Its IUPAC name is (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine
PubChem CID134836943
Molecular FormulaC19H39NO4Si2
Molecular Weight401.70 g/mol
Exact Mass401.24
IUPAC Name(Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine
SMILESCO/N=C(/C)[C@H]1CC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C19H39NO4Si2/c1-14(20-22-6)15-12-13-16(23-25(7,8)9)18(17(15)21-5)24-26(10,11)19(2,3)4/h13,15,17-18H,12H2,1-11H3/b20-14-/t15-,17-,18-/m1/s1
InChIKeyVTKHFJRDDOSHNU-KUVDVUPZSA-N
XLogP5.17
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.70
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine with MolForge

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Related Compounds

(2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-one
CID 134836934
tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane
CID 59796127
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 89472494
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 142783605
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
CID 102012979
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine?
The IUPAC name of (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine (CID 134836943) is (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine.
What is the SMILES notation for (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine?
The canonical SMILES for (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine is CO/N=C(/C)[C@H]1CC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC.
What is the InChIKey of (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine?
The InChIKey is VTKHFJRDDOSHNU-KUVDVUPZSA-N. The full InChI is InChI=1S/C19H39NO4Si2/c1-14(20-22-6)15-12-13-16(23-25(7,8)9)18(17(15)21-5)24-26(10,11)19(2,3)4/h13,15,17-18H,12H2,1-11H3/b20-14-/t15-,17-,18-/m1/s1.
What are the key properties of (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine?
(Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine has a molecular weight of 401.70 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(1R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl]-N-methoxyethanimine is sourced from PubChem (CID 134836943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).