1-[(2E,4E)-hexa-2,4-dienoxy]octane

C14H26O — CID 122683183

IUPAC1-[(2E,4E)-hexa-2,4-dienoxy]octane
SMILESC/C=C/C=C/COCCCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h4,6,8,11H,3,5,7,9-10,12-14H2,1-2H3/b6-4+,11-8+
InChIKeyHTOQPMKHMQGOEX-JRRWEWNMSA-N
MW210.36 g/mol
LogP4.50
Rot. Bonds10

About 1-[(2E,4E)-hexa-2,4-dienoxy]octane

1-[(2E,4E)-hexa-2,4-dienoxy]octane (PubChem CID 122683183) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(2E,4E)-hexa-2,4-dienoxy]octane.

Molecular Properties

Compound Name1-[(2E,4E)-hexa-2,4-dienoxy]octane
PubChem CID122683183
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-[(2E,4E)-hexa-2,4-dienoxy]octane
SMILESC/C=C/C=C/COCCCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h4,6,8,11H,3,5,7,9-10,12-14H2,1-2H3/b6-4+,11-8+
InChIKeyHTOQPMKHMQGOEX-JRRWEWNMSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.50
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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Related Compounds

1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
1-but-2-enoxybutane
CID 543904
1,6-bis(but-2-enoxy)hexane
CID 173425920
(2E,4E)-1-pent-4-enoxyhexa-2,4-diene
CID 101180085
(Z)-4-dodecoxybut-2-en-1-ol
CID 6912104
(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
CID 88966150
(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
CID 13113516
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-hexa-2,4-dienoxy]octane?
The IUPAC name of 1-[(2E,4E)-hexa-2,4-dienoxy]octane (CID 122683183) is 1-[(2E,4E)-hexa-2,4-dienoxy]octane.
What is the SMILES notation for 1-[(2E,4E)-hexa-2,4-dienoxy]octane?
The canonical SMILES for 1-[(2E,4E)-hexa-2,4-dienoxy]octane is C/C=C/C=C/COCCCCCCCC.
What is the InChIKey of 1-[(2E,4E)-hexa-2,4-dienoxy]octane?
The InChIKey is HTOQPMKHMQGOEX-JRRWEWNMSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h4,6,8,11H,3,5,7,9-10,12-14H2,1-2H3/b6-4+,11-8+.
What are the key properties of 1-[(2E,4E)-hexa-2,4-dienoxy]octane?
1-[(2E,4E)-hexa-2,4-dienoxy]octane has a molecular weight of 210.36 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-hexa-2,4-dienoxy]octane is sourced from PubChem (CID 122683183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).