1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene

C16H24O2 — CID 23504193

IUPAC1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene
SMILESC=Cc1ccc(OC(C)(OCC)C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-7-13-9-11-14(12-10-13)18-16(6,17-8-2)15(3,4)5/h7,9-12H,1,8H2,2-6H3
InChIKeyUIMVCGIQNUMBIX-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.51
Rot. Bonds5

About 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene

1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene (PubChem CID 23504193) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene
PubChem CID23504193
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene
SMILESC=Cc1ccc(OC(C)(OCC)C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-7-13-9-11-14(12-10-13)18-16(6,17-8-2)15(3,4)5/h7,9-12H,1,8H2,2-6H3
InChIKeyUIMVCGIQNUMBIX-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.51
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-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene
CID 23504210
1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene
CID 23504206
1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene
CID 23504259
1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol
CID 22316178
2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol
CID 121474400
1-tert-butyl-4-ethenylbenzene
CID 15627
1-ethenyl-4-hept-4-enoxybenzene
CID 175065592
1-ethenyl-4-methylperoxybenzene
CID 21053359
1-ethenyl-4-henicosoxybenzene
CID 174769675
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene?
The IUPAC name of 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene (CID 23504193) is 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene.
What is the SMILES notation for 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene?
The canonical SMILES for 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene is C=Cc1ccc(OC(C)(OCC)C(C)(C)C)cc1.
What is the InChIKey of 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene?
The InChIKey is UIMVCGIQNUMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-13-9-11-14(12-10-13)18-16(6,17-8-2)15(3,4)5/h7,9-12H,1,8H2,2-6H3.
What are the key properties of 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene?
1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene has a molecular weight of 248.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene is sourced from PubChem (CID 23504193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).