(2E,4Z)-3-methoxyhexa-2,4-diene

C7H12O — CID 59944780

IUPAC(2E,4Z)-3-methoxyhexa-2,4-diene
SMILESC/C=C\C(=C/C)OC
InChIInChI=1S/C7H12O/c1-4-6-7(5-2)8-3/h4-6H,1-3H3/b6-4-,7-5+
InChIKeyMRFXFGJOVUXHLI-XGXWUAJZSA-N
MW112.17 g/mol
LogP2.11
Rot. Bonds2

About (2E,4Z)-3-methoxyhexa-2,4-diene

(2E,4Z)-3-methoxyhexa-2,4-diene (PubChem CID 59944780) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2E,4Z)-3-methoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-methoxyhexa-2,4-diene
PubChem CID59944780
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2E,4Z)-3-methoxyhexa-2,4-diene
SMILESC/C=C\C(=C/C)OC
InChIInChI=1S/C7H12O/c1-4-6-7(5-2)8-3/h4-6H,1-3H3/b6-4-,7-5+
InChIKeyMRFXFGJOVUXHLI-XGXWUAJZSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-methoxyhexa-2,4-diene?
The IUPAC name of (2E,4Z)-3-methoxyhexa-2,4-diene (CID 59944780) is (2E,4Z)-3-methoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-methoxyhexa-2,4-diene?
The canonical SMILES for (2E,4Z)-3-methoxyhexa-2,4-diene is C/C=C\C(=C/C)OC.
What is the InChIKey of (2E,4Z)-3-methoxyhexa-2,4-diene?
The InChIKey is MRFXFGJOVUXHLI-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H12O/c1-4-6-7(5-2)8-3/h4-6H,1-3H3/b6-4-,7-5+.
What are the key properties of (2E,4Z)-3-methoxyhexa-2,4-diene?
(2E,4Z)-3-methoxyhexa-2,4-diene has a molecular weight of 112.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-methoxyhexa-2,4-diene is sourced from PubChem (CID 59944780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).