(E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine

C22H33NO4 — CID 22962530

IUPAC(E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine
SMILESC/C=C/COc1cc(C)c(OC2CCCC(OC/C(C)=N/OC)C2)c(C)c1
InChIInChI=1S/C22H33NO4/c1-6-7-11-25-21-12-16(2)22(17(3)13-21)27-20-10-8-9-19(14-20)26-15-18(4)23-24-5/h6-7,12-13,19-20H,8-11,14-15H2,1-5H3/b7-6+,23-18+
InChIKeyFONXLYNMXQQWAL-BPCMSFOVSA-N
MW375.51 g/mol
LogP4.99
Rot. Bonds9

About (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine

(E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine (PubChem CID 22962530) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine.

Molecular Properties

Compound Name(E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine
PubChem CID22962530
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name(E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine
SMILESC/C=C/COc1cc(C)c(OC2CCCC(OC/C(C)=N/OC)C2)c(C)c1
InChIInChI=1S/C22H33NO4/c1-6-7-11-25-21-12-16(2)22(17(3)13-21)27-20-10-8-9-19(14-20)26-15-18(4)23-24-5/h6-7,12-13,19-20H,8-11,14-15H2,1-5H3/b7-6+,23-18+
InChIKeyFONXLYNMXQQWAL-BPCMSFOVSA-N
XLogP4.99
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-1-[4-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxyphenyl]-N-methoxymethanimine
CID 91469277
(1Z)-4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxybenzenecarboximidoyl fluoride
CID 22962759
1-[4-[[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclopentyl]oxymethyl]phenyl]-N-methoxyethanimine
CID 158381363
(E)-4-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-N-methoxybutan-2-imine
CID 23379616
(Z)-1-[4-[[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxymethyl]phenyl]-N-methoxyethanimine
CID 90866617
(E)-1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxymethyl]phenoxy]-N-methoxypropan-2-imine
CID 22962840
N-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-2-[(2E)-2-methoxyiminopropoxy]-N-methylethanamine
CID 23379547
1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxymethyl]phenoxy]-N-methoxypropan-2-imine
CID 160879793
(Z)-1-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methylsulfonyl]-N-methoxypropan-2-imine
CID 90713845
(2E)-N-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]-2-methoxyimino-N-methylpropan-1-amine
CID 22963155
1-[4-[[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]cyclohexyl]methoxy]phenyl]-N-methoxyethanimine
CID 157432472
6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-(2-methoxyiminopropyl)hexan-1-amine
CID 90730400

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine?
The IUPAC name of (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine (CID 22962530) is (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine.
What is the SMILES notation for (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine?
The canonical SMILES for (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine is C/C=C/COc1cc(C)c(OC2CCCC(OC/C(C)=N/OC)C2)c(C)c1.
What is the InChIKey of (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine?
The InChIKey is FONXLYNMXQQWAL-BPCMSFOVSA-N. The full InChI is InChI=1S/C22H33NO4/c1-6-7-11-25-21-12-16(2)22(17(3)13-21)27-20-10-8-9-19(14-20)26-15-18(4)23-24-5/h6-7,12-13,19-20H,8-11,14-15H2,1-5H3/b7-6+,23-18+.
What are the key properties of (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine?
(E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine has a molecular weight of 375.51 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]cyclohexyl]oxy-N-methoxypropan-2-imine is sourced from PubChem (CID 22962530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).