(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine

C10H12ClN — CID 177317779

IUPAC(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
SMILES[H]/N=C/C(=C)C(=C)/C=C\C(Cl)=C/C
InChIInChI=1S/C10H12ClN/c1-4-10(11)6-5-8(2)9(3)7-12/h4-7,12H,2-3H2,1H3/b6-5-,10-4+,12-7+
InChIKeyJSQACMTTXMLVAL-SOBSOTPHSA-N
MW181.67 g/mol
LogP3.45
Rot. Bonds4

About (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine

(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine (PubChem CID 177317779) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine.

Molecular Properties

Compound Name(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
PubChem CID177317779
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
SMILES[H]/N=C/C(=C)C(=C)/C=C\C(Cl)=C/C
InChIInChI=1S/C10H12ClN/c1-4-10(11)6-5-8(2)9(3)7-12/h4-7,12H,2-3H2,1H3/b6-5-,10-4+,12-7+
InChIKeyJSQACMTTXMLVAL-SOBSOTPHSA-N
XLogP3.45
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-chlorohexa-2,4-dienoic acid
CID 3024913
(Z)-2-methylidenepent-3-enimidoyl chloride
CID 122550265
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
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4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
(3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine
CID 143193801
(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine
CID 135278571
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
ethanimine;2-methylprop-2-enoic acid
CID 175333202
(E)-3-methanimidoylpent-3-ene-2,2-diol
CID 170592587

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine?
The IUPAC name of (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine (CID 177317779) is (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine.
What is the SMILES notation for (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine?
The canonical SMILES for (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine is [H]/N=C/C(=C)C(=C)/C=C\C(Cl)=C/C.
What is the InChIKey of (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine?
The InChIKey is JSQACMTTXMLVAL-SOBSOTPHSA-N. The full InChI is InChI=1S/C10H12ClN/c1-4-10(11)6-5-8(2)9(3)7-12/h4-7,12H,2-3H2,1H3/b6-5-,10-4+,12-7+.
What are the key properties of (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine?
(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine has a molecular weight of 181.67 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine is sourced from PubChem (CID 177317779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).