(2E,4E)-4-ethoxydeca-2,4-diene

C12H22O — CID 134857927

IUPAC(2E,4E)-4-ethoxydeca-2,4-diene
SMILESC/C=C/C(=C\CCCCC)OCC
InChIInChI=1S/C12H22O/c1-4-7-8-9-11-12(10-5-2)13-6-3/h5,10-11H,4,6-9H2,1-3H3/b10-5+,12-11+
InChIKeyPGMJEKJYMAFWLT-WKWSCTOISA-N
MW182.31 g/mol
LogP4.06
Rot. Bonds7

About (2E,4E)-4-ethoxydeca-2,4-diene

(2E,4E)-4-ethoxydeca-2,4-diene (PubChem CID 134857927) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E,4E)-4-ethoxydeca-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-4-ethoxydeca-2,4-diene
PubChem CID134857927
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2E,4E)-4-ethoxydeca-2,4-diene
SMILESC/C=C/C(=C\CCCCC)OCC
InChIInChI=1S/C12H22O/c1-4-7-8-9-11-12(10-5-2)13-6-3/h5,10-11H,4,6-9H2,1-3H3/b10-5+,12-11+
InChIKeyPGMJEKJYMAFWLT-WKWSCTOISA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(E)-1-ethoxy-hept-2-ene
CID 5358349
1-Isopropoxy-2,7-octadiene
CID 11286698
(E)-1-methoxyoct-2-ene
CID 11332527
7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydrooxepine
CID 11287020
Vinyl 2-octenyl ether
CID 74377852
Methoxydimethyloctadiene
CID 87220842
Monoepoxy-heptadecadiene
CID 129776114
2-Isopropoxy-1,3-cyclohexadiene
CID 145330
2-Ethoxy-1-fluorocyclohexa-1,3-diene
CID 89812511
(3Z,5Z)-3-fluoro-4-[(E)-pent-3-en-2-yl]oxyhepta-1,3,5-triene
CID 134448842
(2Z,4E)-1-fluoro-4-propoxyhepta-2,4-diene
CID 135225416
2-Ethoxy-5-fluorocyclohexa-1,3-diene
CID 143106657

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-ethoxydeca-2,4-diene?
The IUPAC name of (2E,4E)-4-ethoxydeca-2,4-diene (CID 134857927) is (2E,4E)-4-ethoxydeca-2,4-diene.
What is the SMILES notation for (2E,4E)-4-ethoxydeca-2,4-diene?
The canonical SMILES for (2E,4E)-4-ethoxydeca-2,4-diene is C/C=C/C(=C\CCCCC)OCC.
What is the InChIKey of (2E,4E)-4-ethoxydeca-2,4-diene?
The InChIKey is PGMJEKJYMAFWLT-WKWSCTOISA-N. The full InChI is InChI=1S/C12H22O/c1-4-7-8-9-11-12(10-5-2)13-6-3/h5,10-11H,4,6-9H2,1-3H3/b10-5+,12-11+.
What are the key properties of (2E,4E)-4-ethoxydeca-2,4-diene?
(2E,4E)-4-ethoxydeca-2,4-diene has a molecular weight of 182.31 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-ethoxydeca-2,4-diene is sourced from PubChem (CID 134857927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).