(3E)-5-ethoxyhexa-1,3-diene

C8H14O — CID 5352776

IUPAC(3E)-5-ethoxyhexa-1,3-diene
SMILESC=C/C=C/C(C)OCC
InChIInChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-8H,1,5H2,2-3H3/b7-6+
InChIKeyIXTXFMUQEVEFFL-VOTSOKGWSA-N
MW126.20 g/mol
LogP2.15
Rot. Bonds4

About (3E)-5-ethoxyhexa-1,3-diene

(3E)-5-ethoxyhexa-1,3-diene (PubChem CID 5352776) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3E)-5-ethoxyhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-5-ethoxyhexa-1,3-diene
PubChem CID5352776
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3E)-5-ethoxyhexa-1,3-diene
SMILESC=C/C=C/C(C)OCC
InChIInChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-8H,1,5H2,2-3H3/b7-6+
InChIKeyIXTXFMUQEVEFFL-VOTSOKGWSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-ethoxyhexa-1,3-diene?
The IUPAC name of (3E)-5-ethoxyhexa-1,3-diene (CID 5352776) is (3E)-5-ethoxyhexa-1,3-diene.
What is the SMILES notation for (3E)-5-ethoxyhexa-1,3-diene?
The canonical SMILES for (3E)-5-ethoxyhexa-1,3-diene is C=C/C=C/C(C)OCC.
What is the InChIKey of (3E)-5-ethoxyhexa-1,3-diene?
The InChIKey is IXTXFMUQEVEFFL-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-8H,1,5H2,2-3H3/b7-6+.
What are the key properties of (3E)-5-ethoxyhexa-1,3-diene?
(3E)-5-ethoxyhexa-1,3-diene has a molecular weight of 126.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-ethoxyhexa-1,3-diene is sourced from PubChem (CID 5352776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).