(8E,10E,12Z)-octadeca-8,10,12-trienimidate

C18H30NO- — CID 145462718

IUPAC(8E,10E,12Z)-octadeca-8,10,12-trienimidate
SMILES[H]/N=C(\[O-])CCCCCC/C=C/C=C/C=C\CCCCC
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H2,19,20)/p-1/b7-6-,9-8+,11-10+
InChIKeyRKDXAJARTXLGLX-KBPWROHVSA-M
MW276.44 g/mol
LogP4.91
Rot. Bonds13

About (8E,10E,12Z)-octadeca-8,10,12-trienimidate

(8E,10E,12Z)-octadeca-8,10,12-trienimidate (PubChem CID 145462718) has the molecular formula C18H30NO- and a molecular weight of 276.44 g/mol. Its IUPAC name is (8E,10E,12Z)-octadeca-8,10,12-trienimidate.

Molecular Properties

Compound Name(8E,10E,12Z)-octadeca-8,10,12-trienimidate
PubChem CID145462718
Molecular FormulaC18H30NO-
Molecular Weight276.44 g/mol
Exact Mass276.23
IUPAC Name(8E,10E,12Z)-octadeca-8,10,12-trienimidate
SMILES[H]/N=C(\[O-])CCCCCC/C=C/C=C/C=C\CCCCC
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H2,19,20)/p-1/b7-6-,9-8+,11-10+
InChIKeyRKDXAJARTXLGLX-KBPWROHVSA-M
XLogP4.91
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

potassium (10E,12E)-octadeca-10,12-dienoate
CID 101366415
(9Z,11E,13Z)-octadeca-9,11,13-trienoate
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(22E)-heptatetraconta-22,24-diene
CID 56629131
(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
CID 90307096
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 173206740
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928

Frequently Asked Questions

What is the IUPAC name of (8E,10E,12Z)-octadeca-8,10,12-trienimidate?
The IUPAC name of (8E,10E,12Z)-octadeca-8,10,12-trienimidate (CID 145462718) is (8E,10E,12Z)-octadeca-8,10,12-trienimidate.
What is the SMILES notation for (8E,10E,12Z)-octadeca-8,10,12-trienimidate?
The canonical SMILES for (8E,10E,12Z)-octadeca-8,10,12-trienimidate is [H]/N=C(\[O-])CCCCCC/C=C/C=C/C=C\CCCCC.
What is the InChIKey of (8E,10E,12Z)-octadeca-8,10,12-trienimidate?
The InChIKey is RKDXAJARTXLGLX-KBPWROHVSA-M. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H2,19,20)/p-1/b7-6-,9-8+,11-10+.
What are the key properties of (8E,10E,12Z)-octadeca-8,10,12-trienimidate?
(8E,10E,12Z)-octadeca-8,10,12-trienimidate has a molecular weight of 276.44 g/mol, XLogP of 4.91, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E,12Z)-octadeca-8,10,12-trienimidate is sourced from PubChem (CID 145462718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).