(5E)-5-ethoxydeca-1,5,9-triene

C12H20O — CID 135043142

IUPAC(5E)-5-ethoxydeca-1,5,9-triene
SMILESC=CCC/C=C(\CCC=C)OCC
InChIInChI=1S/C12H20O/c1-4-7-9-11-12(13-6-3)10-8-5-2/h4-5,11H,1-2,6-10H2,3H3/b12-11+
InChIKeyAHDKFIFMNQSRFY-VAWYXSNFSA-N
MW180.29 g/mol
LogP3.84
Rot. Bonds8

About (5E)-5-ethoxydeca-1,5,9-triene

(5E)-5-ethoxydeca-1,5,9-triene (PubChem CID 135043142) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (5E)-5-ethoxydeca-1,5,9-triene.

Molecular Properties

Compound Name(5E)-5-ethoxydeca-1,5,9-triene
PubChem CID135043142
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(5E)-5-ethoxydeca-1,5,9-triene
SMILESC=CCC/C=C(\CCC=C)OCC
InChIInChI=1S/C12H20O/c1-4-7-9-11-12(13-6-3)10-8-5-2/h4-5,11H,1-2,6-10H2,3H3/b12-11+
InChIKeyAHDKFIFMNQSRFY-VAWYXSNFSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.84
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 3,4-dihydro-6-methyl-
CID 27627
exo-2-Ethylidenetetrahydrofuran
CID 5463185
3-Heptene, 4-methoxy-
CID 5370382
2-n-Propyl-4,5-dihydrofuran
CID 10464323
(3Z)-4-ethoxyocta-1,3-diene
CID 101004520
2-Ethylidenetetrahydrofuran
CID 142299
2,6-diethyl-3,4-dihydro-2H-pyran
CID 10329385
1-Butoxycyclohexa-1,4-diene
CID 11147826
6-Butyl-3,4-dihydro-2H-pyran
CID 12329637
6-Ethyl-3,4-dihydro-2h-pyran
CID 12536730
Methyl-5-n-propyldihydrofuran
CID 85527712
6-propyl-3,4-dihydro-2H-pyran
CID 85827008

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethoxydeca-1,5,9-triene?
The IUPAC name of (5E)-5-ethoxydeca-1,5,9-triene (CID 135043142) is (5E)-5-ethoxydeca-1,5,9-triene.
What is the SMILES notation for (5E)-5-ethoxydeca-1,5,9-triene?
The canonical SMILES for (5E)-5-ethoxydeca-1,5,9-triene is C=CCC/C=C(\CCC=C)OCC.
What is the InChIKey of (5E)-5-ethoxydeca-1,5,9-triene?
The InChIKey is AHDKFIFMNQSRFY-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H20O/c1-4-7-9-11-12(13-6-3)10-8-5-2/h4-5,11H,1-2,6-10H2,3H3/b12-11+.
What are the key properties of (5E)-5-ethoxydeca-1,5,9-triene?
(5E)-5-ethoxydeca-1,5,9-triene has a molecular weight of 180.29 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethoxydeca-1,5,9-triene is sourced from PubChem (CID 135043142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).