cyclohexylbenzene;ethenoxymethylbenzene

C21H26O — CID 161044898

IUPACcyclohexylbenzene;ethenoxymethylbenzene
SMILESC=COCc1ccccc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C9H10O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-10-8-9-6-4-3-5-7-9/h1,3-4,7-8,12H,2,5-6,9-10H2;2-7H,1,8H2
InChIKeyUBJIYTDIOQUSNR-UHFFFAOYSA-N
MW294.44 g/mol
LogP6.08
Rot. Bonds4

About cyclohexylbenzene;ethenoxymethylbenzene

cyclohexylbenzene;ethenoxymethylbenzene (PubChem CID 161044898) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is cyclohexylbenzene;ethenoxymethylbenzene.

Molecular Properties

Compound Namecyclohexylbenzene;ethenoxymethylbenzene
PubChem CID161044898
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Namecyclohexylbenzene;ethenoxymethylbenzene
SMILESC=COCc1ccccc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C9H10O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-10-8-9-6-4-3-5-7-9/h1,3-4,7-8,12H,2,5-6,9-10H2;2-7H,1,8H2
InChIKeyUBJIYTDIOQUSNR-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenoxymethylbenzene
CID 11116115
ethane;ethenoxymethylbenzene
CID 144676673
1-cyclohexyl-4-(2-ethenoxyethyl)benzene
CID 177370560
CID 159076923
CID 159076923
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclopentylbenzene;iron
CID 158512704
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
2-benzylperoxy-1,3,5-tricyclohexylbenzene;formaldehyde
CID 144725017
3-cyclohexylpropa-1,2-dienoxymethylbenzene
CID 102201544
cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid
CID 70151849

Frequently Asked Questions

What is the IUPAC name of cyclohexylbenzene;ethenoxymethylbenzene?
The IUPAC name of cyclohexylbenzene;ethenoxymethylbenzene (CID 161044898) is cyclohexylbenzene;ethenoxymethylbenzene.
What is the SMILES notation for cyclohexylbenzene;ethenoxymethylbenzene?
The canonical SMILES for cyclohexylbenzene;ethenoxymethylbenzene is C=COCc1ccccc1.c1ccc(C2CCCCC2)cc1.
What is the InChIKey of cyclohexylbenzene;ethenoxymethylbenzene?
The InChIKey is UBJIYTDIOQUSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C9H10O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-10-8-9-6-4-3-5-7-9/h1,3-4,7-8,12H,2,5-6,9-10H2;2-7H,1,8H2.
What are the key properties of cyclohexylbenzene;ethenoxymethylbenzene?
cyclohexylbenzene;ethenoxymethylbenzene has a molecular weight of 294.44 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylbenzene;ethenoxymethylbenzene is sourced from PubChem (CID 161044898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).