(2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene

C9H16O2 — CID 126580846

IUPAC(2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene
SMILESC/C=C\C=C(/C)OCCOC
InChIInChI=1S/C9H16O2/c1-4-5-6-9(2)11-8-7-10-3/h4-6H,7-8H2,1-3H3/b5-4-,9-6+
InChIKeyKIDCKFCCAYDAHK-KMOPYBJPSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds5

About (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene

(2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene (PubChem CID 126580846) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene
PubChem CID126580846
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene
SMILESC/C=C\C=C(/C)OCCOC
InChIInChI=1S/C9H16O2/c1-4-5-6-9(2)11-8-7-10-3/h4-6H,7-8H2,1-3H3/b5-4-,9-6+
InChIKeyKIDCKFCCAYDAHK-KMOPYBJPSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene?
The IUPAC name of (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene (CID 126580846) is (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene?
The canonical SMILES for (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene is C/C=C\C=C(/C)OCCOC.
What is the InChIKey of (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene?
The InChIKey is KIDCKFCCAYDAHK-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-6-9(2)11-8-7-10-3/h4-6H,7-8H2,1-3H3/b5-4-,9-6+.
What are the key properties of (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene?
(2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene has a molecular weight of 156.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-(2-methoxyethoxy)hexa-2,4-diene is sourced from PubChem (CID 126580846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).