1-ethoxyhexa-2,4-diene

C8H14O — CID 529316

IUPAC1-ethoxyhexa-2,4-diene
SMILESCC=CC=CCOCC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8-9-4-2/h3,5-7H,4,8H2,1-2H3
InChIKeyUNHPVHFNZXRVNU-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.16
Rot. Bonds4

About 1-ethoxyhexa-2,4-diene

1-ethoxyhexa-2,4-diene (PubChem CID 529316) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-ethoxyhexa-2,4-diene.

Molecular Properties

Compound Name1-ethoxyhexa-2,4-diene
PubChem CID529316
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-ethoxyhexa-2,4-diene
SMILESCC=CC=CCOCC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8-9-4-2/h3,5-7H,4,8H2,1-2H3
InChIKeyUNHPVHFNZXRVNU-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1-ethoxyhexa-2,4-diene?
The IUPAC name of 1-ethoxyhexa-2,4-diene (CID 529316) is 1-ethoxyhexa-2,4-diene.
What is the SMILES notation for 1-ethoxyhexa-2,4-diene?
The canonical SMILES for 1-ethoxyhexa-2,4-diene is CC=CC=CCOCC.
What is the InChIKey of 1-ethoxyhexa-2,4-diene?
The InChIKey is UNHPVHFNZXRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-7-8-9-4-2/h3,5-7H,4,8H2,1-2H3.
What are the key properties of 1-ethoxyhexa-2,4-diene?
1-ethoxyhexa-2,4-diene has a molecular weight of 126.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyhexa-2,4-diene is sourced from PubChem (CID 529316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).