1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene

C19H28O2 — CID 23504138

IUPAC1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene
SMILESC=Cc1ccc(OC(CCCC)OC2CCCCC2)cc1
InChIInChI=1S/C19H28O2/c1-3-5-11-19(20-17-9-7-6-8-10-17)21-18-14-12-16(4-2)13-15-18/h4,12-15,17,19H,2-3,5-11H2,1H3
InChIKeyCEYCSBSJQUMIJM-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.57
Rot. Bonds8

About 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene

1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene (PubChem CID 23504138) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene
PubChem CID23504138
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene
SMILESC=Cc1ccc(OC(CCCC)OC2CCCCC2)cc1
InChIInChI=1S/C19H28O2/c1-3-5-11-19(20-17-9-7-6-8-10-17)21-18-14-12-16(4-2)13-15-18/h4,12-15,17,19H,2-3,5-11H2,1H3
InChIKeyCEYCSBSJQUMIJM-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.57
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-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
CID 22057357
1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene
CID 140653876
1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
CID 70159395
1-ethenyl-4-hexan-3-yloxybenzene
CID 22475840
tributyl(cyclohexyloxy)phosphanium
CID 23415292
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-(2-cyclopentyloxyethoxy)-4-ethenylbenzene
CID 57238623
1-cyclobutyl-4-ethenylbenzene;pentane
CID 144867971
1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene
CID 23504210
sodium 6-(4-ethenylphenoxy)octadecanoate
CID 101102665
sodium 12-(4-ethenylphenoxy)octadecanoate
CID 101102663

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene?
The IUPAC name of 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene (CID 23504138) is 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene.
What is the SMILES notation for 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene?
The canonical SMILES for 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene is C=Cc1ccc(OC(CCCC)OC2CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene?
The InChIKey is CEYCSBSJQUMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-5-11-19(20-17-9-7-6-8-10-17)21-18-14-12-16(4-2)13-15-18/h4,12-15,17,19H,2-3,5-11H2,1H3.
What are the key properties of 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene?
1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene has a molecular weight of 288.43 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene is sourced from PubChem (CID 23504138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).