1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene

C19H30O2 — CID 23504259

IUPAC1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene
SMILESC=Cc1ccc(OC(C)(OCCCCCC)C(C)C)cc1
InChIInChI=1S/C19H30O2/c1-6-8-9-10-15-20-19(5,16(3)4)21-18-13-11-17(7-2)12-14-18/h7,11-14,16H,2,6,8-10,15H2,1,3-5H3
InChIKeyIWJKKYQLEVFDEE-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.68
Rot. Bonds10

About 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene

1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene (PubChem CID 23504259) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene
PubChem CID23504259
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene
SMILESC=Cc1ccc(OC(C)(OCCCCCC)C(C)C)cc1
InChIInChI=1S/C19H30O2/c1-6-8-9-10-15-20-19(5,16(3)4)21-18-13-11-17(7-2)12-14-18/h7,11-14,16H,2,6,8-10,15H2,1,3-5H3
InChIKeyIWJKKYQLEVFDEE-UHFFFAOYSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene
CID 23504206
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene
CID 23504193
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
1-ethenoxypentane;1-ethenyl-4-ethylbenzene
CID 54369446
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
butyl-(4-ethenylphenoxy)-(2-methylpropyl)silane
CID 175922667

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene?
The IUPAC name of 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene (CID 23504259) is 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene.
What is the SMILES notation for 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene?
The canonical SMILES for 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene is C=Cc1ccc(OC(C)(OCCCCCC)C(C)C)cc1.
What is the InChIKey of 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene?
The InChIKey is IWJKKYQLEVFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-6-8-9-10-15-20-19(5,16(3)4)21-18-13-11-17(7-2)12-14-18/h7,11-14,16H,2,6,8-10,15H2,1,3-5H3.
What are the key properties of 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene?
1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene has a molecular weight of 290.45 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-hexoxy-3-methylbutan-2-yl)oxybenzene is sourced from PubChem (CID 23504259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).