2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol

C14H20O2 — CID 6510159

IUPAC2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol
SMILESCC/C=C/C=C/C=C/C=C/C=C/OCCO
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h3-11,13,15H,2,12,14H2,1H3/b4-3+,6-5+,8-7+,10-9+,13-11+
InChIKeyQPTIOYHXVDIFBQ-ZGACUIHUSA-N
MW220.31 g/mol
LogP3.14
Rot. Bonds8

About 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol

2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol (PubChem CID 6510159) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol.

Molecular Properties

Compound Name2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol
PubChem CID6510159
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol
SMILESCC/C=C/C=C/C=C/C=C/C=C/OCCO
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h3-11,13,15H,2,12,14H2,1H3/b4-3+,6-5+,8-7+,10-9+,13-11+
InChIKeyQPTIOYHXVDIFBQ-ZGACUIHUSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol with MolForge

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Related Compounds

2-penta-1,3-dienoxyethanol
CID 172693400
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
(2S)-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
CID 6437067
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
(5E)-octa-3,5-diene
CID 173104147
(E)-4-(2-hydroxyethoxy)but-3-en-2-one
CID 13225454
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
1-(2-chloroethoxy)but-1-ene
CID 123683593
2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol
CID 141050689
2-ethoxyethanol;1-hydroperoxybut-1-ene
CID 173460043
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol?
The IUPAC name of 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol (CID 6510159) is 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol.
What is the SMILES notation for 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol?
The canonical SMILES for 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol is CC/C=C/C=C/C=C/C=C/C=C/OCCO.
What is the InChIKey of 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol?
The InChIKey is QPTIOYHXVDIFBQ-ZGACUIHUSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h3-11,13,15H,2,12,14H2,1H3/b4-3+,6-5+,8-7+,10-9+,13-11+.
What are the key properties of 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol?
2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol has a molecular weight of 220.31 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol is sourced from PubChem (CID 6510159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).