(Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine

C22H36N2O2 — CID 167523450

IUPAC(Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine
SMILES[H]/N=C\C=C/C(=C\OCCCCO/C=C(\C=C/C=N/[H])CCCC)CCCC
InChIInChI=1S/C22H36N2O2/c1-3-5-11-21(13-9-15-23)19-25-17-7-8-18-26-20-22(12-6-4-2)14-10-16-24/h9-10,13-16,19-20,23-24H,3-8,11-12,17-18H2,1-2H3/b13-9-,14-10-,21-19-,22-20-,23-15-,24-16+
InChIKeyDNJVPPVUDKQBCR-RYLIXPMISA-N
MW360.54 g/mol
LogP6.36
Rot. Bonds17

About (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine

(Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine (PubChem CID 167523450) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine.

Molecular Properties

Compound Name(Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine
PubChem CID167523450
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name(Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine
SMILES[H]/N=C\C=C/C(=C\OCCCCO/C=C(\C=C/C=N/[H])CCCC)CCCC
InChIInChI=1S/C22H36N2O2/c1-3-5-11-21(13-9-15-23)19-25-17-7-8-18-26-20-22(12-6-4-2)14-10-16-24/h9-10,13-16,19-20,23-24H,3-8,11-12,17-18H2,1-2H3/b13-9-,14-10-,21-19-,22-20-,23-15-,24-16+
InChIKeyDNJVPPVUDKQBCR-RYLIXPMISA-N
XLogP6.36
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
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'}

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Related Compounds

1-(2-ethylhex-1-enoxy)decane
CID 166758323
[(Z,4Z)-4-[4-(3-butylpyridin-1-ium-1-yl)butoxymethylidene]oct-2-enylidene]azanium
CID 167523451
methyl (2E)-2-(4-chlorobutoxymethylidene)hexanoate
CID 88760904
1-(2-methylprop-1-enoxy)heptane
CID 22234809
1-pentoxyprop-1-en-2-ol
CID 173004017
3-(butoxymethylidene)pentane
CID 22234811
2-(butoxymethylidene)propanedioic acid
CID 149150850
1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
CID 150995067
2-(pentoxymethylidene)pent-4-enoic acid
CID 87688784
(E)-3-propan-2-yloct-2-en-1-imine
CID 166687448
(E)-4-[2-(2-ethylhex-1-enoxy)ethoxy]-4-oxobut-2-enoic acid
CID 87835598
1,4-bis(ethenoxy)butane;butane
CID 158192522

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine?
The IUPAC name of (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine (CID 167523450) is (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine.
What is the SMILES notation for (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine?
The canonical SMILES for (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine is [H]/N=C\C=C/C(=C\OCCCCO/C=C(\C=C/C=N/[H])CCCC)CCCC.
What is the InChIKey of (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine?
The InChIKey is DNJVPPVUDKQBCR-RYLIXPMISA-N. The full InChI is InChI=1S/C22H36N2O2/c1-3-5-11-21(13-9-15-23)19-25-17-7-8-18-26-20-22(12-6-4-2)14-10-16-24/h9-10,13-16,19-20,23-24H,3-8,11-12,17-18H2,1-2H3/b13-9-,14-10-,21-19-,22-20-,23-15-,24-16+.
What are the key properties of (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine?
(Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine has a molecular weight of 360.54 g/mol, XLogP of 6.36, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-[4-[(Z)-2-[(Z)-3-iminoprop-1-enyl]hex-1-enoxy]butoxymethylidene]oct-2-en-1-imine is sourced from PubChem (CID 167523450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).