1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene

C16H22O2 — CID 22057357

IUPAC1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
SMILESC=Cc1ccc(OC(C)OC2CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-3-14-9-11-16(12-10-14)18-13(2)17-15-7-5-4-6-8-15/h3,9-13,15H,1,4-8H2,2H3
InChIKeyUREMSSBPHKOOSD-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.40
Rot. Bonds5

About 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene

1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene (PubChem CID 22057357) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
PubChem CID22057357
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
SMILESC=Cc1ccc(OC(C)OC2CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-3-14-9-11-16(12-10-14)18-13(2)17-15-7-5-4-6-8-15/h3,9-13,15H,1,4-8H2,2H3
InChIKeyUREMSSBPHKOOSD-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.40
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene?
The IUPAC name of 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene (CID 22057357) is 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene.
What is the SMILES notation for 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene?
The canonical SMILES for 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene is C=Cc1ccc(OC(C)OC2CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene?
The InChIKey is UREMSSBPHKOOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-14-9-11-16(12-10-14)18-13(2)17-15-7-5-4-6-8-15/h3,9-13,15H,1,4-8H2,2H3.
What are the key properties of 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene?
1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene has a molecular weight of 246.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene is sourced from PubChem (CID 22057357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).