methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate

C8H13NO — CID 118033238

IUPACmethyl (2Z,4Z)-4-methylhexa-2,4-dienimidate
SMILES[H]/N=C(/C=C\C(C)=C/C)OC
InChIInChI=1S/C8H13NO/c1-4-7(2)5-6-8(9)10-3/h4-6,9H,1-3H3/b6-5-,7-4-,9-8-
InChIKeyKHIVCCANQMDZJS-UREISNHHSA-N
MW139.20 g/mol
LogP2.13
Rot. Bonds2

About methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate

methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate (PubChem CID 118033238) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate.

Molecular Properties

Compound Namemethyl (2Z,4Z)-4-methylhexa-2,4-dienimidate
PubChem CID118033238
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Namemethyl (2Z,4Z)-4-methylhexa-2,4-dienimidate
SMILES[H]/N=C(/C=C\C(C)=C/C)OC
InChIInChI=1S/C8H13NO/c1-4-7(2)5-6-8(9)10-3/h4-6,9H,1-3H3/b6-5-,7-4-,9-8-
InChIKeyKHIVCCANQMDZJS-UREISNHHSA-N
XLogP2.13
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate?
The IUPAC name of methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate (CID 118033238) is methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate.
What is the SMILES notation for methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate?
The canonical SMILES for methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate is [H]/N=C(/C=C\C(C)=C/C)OC.
What is the InChIKey of methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate?
The InChIKey is KHIVCCANQMDZJS-UREISNHHSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7(2)5-6-8(9)10-3/h4-6,9H,1-3H3/b6-5-,7-4-,9-8-.
What are the key properties of methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate?
methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate has a molecular weight of 139.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate is sourced from PubChem (CID 118033238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).