(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine

C22H36N2O2 — CID 167523417

IUPAC(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(C)=C/OCCCCCCO/C=C(C)\C=C(C)/C(C)=N/[H]
InChIInChI=1S/C22H36N2O2/c1-17(13-19(3)21(5)23)15-25-11-9-7-8-10-12-26-16-18(2)14-20(4)22(6)24/h13-16,23-24H,7-12H2,1-6H3/b17-15-,18-16-,19-13-,20-14-,23-21+,24-22+
InChIKeyKXRGXLBNGFGOQB-NUFSEIRWSA-N
MW360.54 g/mol
LogP6.36
Rot. Bonds13

About (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine

(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine (PubChem CID 167523417) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine
PubChem CID167523417
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(C)=C/OCCCCCCO/C=C(C)\C=C(C)/C(C)=N/[H]
InChIInChI=1S/C22H36N2O2/c1-17(13-19(3)21(5)23)15-25-11-9-7-8-10-12-26-16-18(2)14-20(4)22(6)24/h13-16,23-24H,7-12H2,1-6H3/b17-15-,18-16-,19-13-,20-14-,23-21+,24-22+
InChIKeyKXRGXLBNGFGOQB-NUFSEIRWSA-N
XLogP6.36
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine with MolForge

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Related Compounds

1-(2-methylprop-1-enoxy)heptane
CID 22234809
(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine
CID 146288740
5-chloro-3-methylpent-3-en-2-imine
CID 174617581
heptyl 2-iminopropanoate
CID 174678170
1-pentoxyprop-1-en-2-ol
CID 173004017
3-methylhept-3-ene-2,6-diimine
CID 123609238
pentan-3-yl (Z)-2-methylbut-2-enimidate
CID 146647586
trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride
CID 172695546
(E)-3-propoxypent-3-en-2-imine
CID 178009158
3-(butoxymethylidene)pentane
CID 22234811
1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
CID 150995067
(Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine
CID 167523450

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine (CID 167523417) is (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine is [H]/N=C(C)/C(C)=C\C(C)=C/OCCCCCCO/C=C(C)\C=C(C)/C(C)=N/[H].
What is the InChIKey of (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine?
The InChIKey is KXRGXLBNGFGOQB-NUFSEIRWSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-17(13-19(3)21(5)23)15-25-11-9-7-8-10-12-26-16-18(2)14-20(4)22(6)24/h13-16,23-24H,7-12H2,1-6H3/b17-15-,18-16-,19-13-,20-14-,23-21+,24-22+.
What are the key properties of (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine?
(3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine has a molecular weight of 360.54 g/mol, XLogP of 6.36, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-[6-[(1Z,3Z)-5-imino-2,4-dimethylhexa-1,3-dienoxy]hexoxy]-3,5-dimethylhexa-3,5-dien-2-imine is sourced from PubChem (CID 167523417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).