1-methoxydodeca-1,3,5,7,9-pentaene

C13H18O — CID 71335564

IUPAC1-methoxydodeca-1,3,5,7,9-pentaene
SMILESCCC=CC=CC=CC=CC=COC
InChIInChI=1S/C13H18O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h4-13H,3H2,1-2H3
InChIKeyPNDQMTHVYOUHCS-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.78
Rot. Bonds6

About 1-methoxydodeca-1,3,5,7,9-pentaene

1-methoxydodeca-1,3,5,7,9-pentaene (PubChem CID 71335564) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methoxydodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name1-methoxydodeca-1,3,5,7,9-pentaene
PubChem CID71335564
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-methoxydodeca-1,3,5,7,9-pentaene
SMILESCCC=CC=CC=CC=CC=COC
InChIInChI=1S/C13H18O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h4-13H,3H2,1-2H3
InChIKeyPNDQMTHVYOUHCS-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-methoxybut-1-ene
CID 5366227
(5E)-octa-3,5-diene
CID 173104147
1,8-dimethoxyocta-1,3,5,7-tetraene
CID 163444931
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol
CID 6510159
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
(1E,3Z,5E)-1-chloroocta-1,3,5-triene
CID 142113042
deca-1,3,5,7-tetraene
CID 54238998
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885

Frequently Asked Questions

What is the IUPAC name of 1-methoxydodeca-1,3,5,7,9-pentaene?
The IUPAC name of 1-methoxydodeca-1,3,5,7,9-pentaene (CID 71335564) is 1-methoxydodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 1-methoxydodeca-1,3,5,7,9-pentaene?
The canonical SMILES for 1-methoxydodeca-1,3,5,7,9-pentaene is CCC=CC=CC=CC=CC=COC.
What is the InChIKey of 1-methoxydodeca-1,3,5,7,9-pentaene?
The InChIKey is PNDQMTHVYOUHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h4-13H,3H2,1-2H3.
What are the key properties of 1-methoxydodeca-1,3,5,7,9-pentaene?
1-methoxydodeca-1,3,5,7,9-pentaene has a molecular weight of 190.29 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxydodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 71335564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).