(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene

C14H24O — CID 135043198

IUPAC(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
SMILESC=CCC/C(=C\C(C)(C)CC=C)OCC
InChIInChI=1S/C14H24O/c1-6-9-10-13(15-8-3)12-14(4,5)11-7-2/h6-7,12H,1-2,8-11H2,3-5H3/b13-12+
InChIKeyHANJHYZLBULLEX-OUKQBFOZSA-N
MW208.34 g/mol
LogP4.48
Rot. Bonds8

About (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene

(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene (PubChem CID 135043198) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene.

Molecular Properties

Compound Name(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
PubChem CID135043198
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
SMILESC=CCC/C(=C\C(C)(C)CC=C)OCC
InChIInChI=1S/C14H24O/c1-6-9-10-13(15-8-3)12-14(4,5)11-7-2/h6-7,12H,1-2,8-11H2,3-5H3/b13-12+
InChIKeyHANJHYZLBULLEX-OUKQBFOZSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 68229763
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CID 21789782
6-isobutyl-3,4-dihydro-2H-pyran
CID 9989345
2-Methyl-4-allyl-4,5-dihydrofuran
CID 129808864
4-Methyl-2-(2-methylpropyl)-4h-pyran
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(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene
CID 135028315
(1E,5Z)-1-ethoxycycloocta-1,5-diene
CID 135028448
(5E)-5-ethoxydeca-1,5,9-triene
CID 135043142
(1E,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 10442729
(1Z,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 177393480
4,4,6-Trimethyl-2,3-dihydropyran
CID 12417685

Frequently Asked Questions

What is the IUPAC name of (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene?
The IUPAC name of (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene (CID 135043198) is (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene.
What is the SMILES notation for (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene?
The canonical SMILES for (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene is C=CCC/C(=C\C(C)(C)CC=C)OCC.
What is the InChIKey of (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene?
The InChIKey is HANJHYZLBULLEX-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H24O/c1-6-9-10-13(15-8-3)12-14(4,5)11-7-2/h6-7,12H,1-2,8-11H2,3-5H3/b13-12+.
What are the key properties of (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene?
(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene has a molecular weight of 208.34 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene is sourced from PubChem (CID 135043198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).