(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene

C13H17ClO — CID 143036281

IUPAC(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene
SMILESC=C(Cl)/C=C\C=C\O/C(C)=C/C=C\CC
InChIInChI=1S/C13H17ClO/c1-4-5-6-10-13(3)15-11-8-7-9-12(2)14/h5-11H,2,4H2,1,3H3/b6-5-,9-7-,11-8+,13-10+
InChIKeyGBLZYKHNURVHMT-PWWWCYRESA-N
MW224.73 g/mol
LogP4.70
Rot. Bonds6

About (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene

(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene (PubChem CID 143036281) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene
PubChem CID143036281
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene
SMILESC=C(Cl)/C=C\C=C\O/C(C)=C/C=C\CC
InChIInChI=1S/C13H17ClO/c1-4-5-6-10-13(3)15-11-8-7-9-12(2)14/h5-11H,2,4H2,1,3H3/b6-5-,9-7-,11-8+,13-10+
InChIKeyGBLZYKHNURVHMT-PWWWCYRESA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroprop-1-enylsulfanyl)-3-methylocta-1,3,5-triene
CID 123179986
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156
4-methylnona-4,6-dien-3-ol
CID 90740001
(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
CID 163982381
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z,5Z)-2-methylideneocta-3,5-dien-1-amine
CID 143910764
[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium
CID 142322439
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene?
The IUPAC name of (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene (CID 143036281) is (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene?
The canonical SMILES for (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene is C=C(Cl)/C=C\C=C\O/C(C)=C/C=C\CC.
What is the InChIKey of (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene?
The InChIKey is GBLZYKHNURVHMT-PWWWCYRESA-N. The full InChI is InChI=1S/C13H17ClO/c1-4-5-6-10-13(3)15-11-8-7-9-12(2)14/h5-11H,2,4H2,1,3H3/b6-5-,9-7-,11-8+,13-10+.
What are the key properties of (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene?
(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene has a molecular weight of 224.73 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene is sourced from PubChem (CID 143036281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).