ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene

C17H24O — CID 143523190

IUPACethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
SMILESC=C/C=C(\C=C/C)Oc1ccc(C)c(C)c1.CC
InChIInChI=1S/C15H18O.C2H6/c1-5-7-14(8-6-2)16-15-10-9-12(3)13(4)11-15;1-2/h5-11H,1H2,2-4H3;1-2H3/b8-6-,14-7+;
InChIKeyBOXLVMFMHSPUOG-UIAFGHFUSA-N
MW244.38 g/mol
LogP5.35
Rot. Bonds4

About ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene

ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene (PubChem CID 143523190) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene.

Molecular Properties

Compound Nameethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
PubChem CID143523190
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Nameethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
SMILESC=C/C=C(\C=C/C)Oc1ccc(C)c(C)c1.CC
InChIInChI=1S/C15H18O.C2H6/c1-5-7-14(8-6-2)16-15-10-9-12(3)13(4)11-15;1-2/h5-11H,1H2,2-4H3;1-2H3/b8-6-,14-7+;
InChIKeyBOXLVMFMHSPUOG-UIAFGHFUSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.35
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

[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphenyl]ethanone
CID 139496919
ethyl 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxybenzoate
CID 143301485
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene
CID 143671563
1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
CID 143659600
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 142063297
1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
CID 143190699
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
CID 167001306
N-(4-chloro-3,5-dimethylphenyl)-5-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
CID 134485898
4-fluoro-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxybenzenethiol
CID 143815900
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene
CID 143269279
bis(1-(2,2-dimethylcyclopropyl)ethanone);1,2-dimethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxybenzene;ethane
CID 142037298

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene?
The IUPAC name of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene (CID 143523190) is ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene.
What is the SMILES notation for ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene?
The canonical SMILES for ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene is C=C/C=C(\C=C/C)Oc1ccc(C)c(C)c1.CC.
What is the InChIKey of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene?
The InChIKey is BOXLVMFMHSPUOG-UIAFGHFUSA-N. The full InChI is InChI=1S/C15H18O.C2H6/c1-5-7-14(8-6-2)16-15-10-9-12(3)13(4)11-15;1-2/h5-11H,1H2,2-4H3;1-2H3/b8-6-,14-7+;.
What are the key properties of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene?
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene has a molecular weight of 244.38 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene is sourced from PubChem (CID 143523190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).