ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene

C17H26O — CID 143117952

IUPACethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
SMILESC=C/C=C\C=C(/C)Oc1ccccc1.CC.CC
InChIInChI=1S/C13H14O.2C2H6/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13;2*1-2/h3-11H,1H2,2H3;2*1-2H3/b6-4-,12-9+;;
InChIKeyYQYUHOVFWFLUPZ-QHTPEIRWSA-N
MW246.39 g/mol
LogP5.76
Rot. Bonds4

About ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene

ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene (PubChem CID 143117952) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene.

Molecular Properties

Compound Nameethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
PubChem CID143117952
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Nameethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
SMILESC=C/C=C\C=C(/C)Oc1ccccc1.CC.CC
InChIInChI=1S/C13H14O.2C2H6/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13;2*1-2/h3-11H,1H2,2H3;2*1-2H3/b6-4-,12-9+;;
InChIKeyYQYUHOVFWFLUPZ-QHTPEIRWSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.76
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

2-O-[(2E,4Z)-hepta-2,4,6-trien-2-yl] 1-O-phenyl oxalate
CID 166696592
ethane;(3E)-3-phenoxyhexa-1,3,5-trien-2-ol
CID 143422244
ethane;ethene;1-methyl-4-[(2E)-penta-2,4-dien-2-yl]oxybenzene
CID 177026748
(2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine
CID 134341617
1-chloroprop-1-en-2-yloxybenzene
CID 525301
6-methoxyhepta-1,3,5-triene
CID 90882924
buta-1,3-diene;diphenyl carbonate
CID 87173366
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-iodoaniline
CID 170206355
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
CID 142113117
(4Z,6E)-7-phenoxynona-4,6,8-trien-2-one
CID 170089842

Frequently Asked Questions

What is the IUPAC name of ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene?
The IUPAC name of ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene (CID 143117952) is ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene.
What is the SMILES notation for ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene?
The canonical SMILES for ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene is C=C/C=C\C=C(/C)Oc1ccccc1.CC.CC.
What is the InChIKey of ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene?
The InChIKey is YQYUHOVFWFLUPZ-QHTPEIRWSA-N. The full InChI is InChI=1S/C13H14O.2C2H6/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13;2*1-2/h3-11H,1H2,2H3;2*1-2H3/b6-4-,12-9+;;.
What are the key properties of ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene?
ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene has a molecular weight of 246.39 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene is sourced from PubChem (CID 143117952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).