1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene

C15H22O2 — CID 23504206

IUPAC1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene
SMILESC=Cc1ccc(OC(C)(CCCC)OC)cc1
InChIInChI=1S/C15H22O2/c1-5-7-12-15(3,16-4)17-14-10-8-13(6-2)9-11-14/h6,8-11H,2,5,7,12H2,1,3-4H3
InChIKeyBNNKXDBYINXDFZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.26
Rot. Bonds7

About 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene

1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene (PubChem CID 23504206) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene
PubChem CID23504206
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene
SMILESC=Cc1ccc(OC(C)(CCCC)OC)cc1
InChIInChI=1S/C15H22O2/c1-5-7-12-15(3,16-4)17-14-10-8-13(6-2)9-11-14/h6,8-11H,2,5,7,12H2,1,3-4H3
InChIKeyBNNKXDBYINXDFZ-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene
CID 23504259
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene
CID 23504193
2-butyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]hexanal
CID 138978094
(4-ethenylphenoxy)-dimethyl-pentylsilane
CID 172778168
1-butoxy-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 167030876
1-(1,1-dimethoxyethyl)-4-ethenylbenzene
CID 174389278
tributoxy-(4-ethenylphenyl)silane
CID 141272321
1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol
CID 22316178

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene?
The IUPAC name of 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene (CID 23504206) is 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene.
What is the SMILES notation for 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene?
The canonical SMILES for 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene is C=Cc1ccc(OC(C)(CCCC)OC)cc1.
What is the InChIKey of 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene?
The InChIKey is BNNKXDBYINXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-7-12-15(3,16-4)17-14-10-8-13(6-2)9-11-14/h6,8-11H,2,5,7,12H2,1,3-4H3.
What are the key properties of 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene?
1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene has a molecular weight of 234.34 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene is sourced from PubChem (CID 23504206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).