[(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene

C14H16O — CID 21116647

IUPAC[(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene
SMILESC1=CC/C(=C/OCc2ccccc2)CC1
InChIInChI=1S/C14H16O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8,12H,6,9-11H2/b14-12-
InChIKeyJEVXQVKXMWAWQE-OWBHPGMISA-N
MW200.28 g/mol
LogP3.83
Rot. Bonds3

About [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene

[(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene (PubChem CID 21116647) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene
PubChem CID21116647
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene
SMILESC1=CC/C(=C/OCc2ccccc2)CC1
InChIInChI=1S/C14H16O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8,12H,6,9-11H2/b14-12-
InChIKeyJEVXQVKXMWAWQE-OWBHPGMISA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethenoxymethylbenzene
CID 11116115
benzyl methanimidate
CID 10176165
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane
CID 155934165
5-(phenylmethoxymethylidene)bicyclo[2.2.1]hepta-1,3-diene
CID 67735092
ethane;ethenoxymethylbenzene
CID 144676673
2-(phenylmethoxymethylidene)adamantan-1-ol
CID 67899429
4-(phenylmethoxymethylidene)imidazole
CID 91260739
phenylmethoxy-λ2-plumbane
CID 173082625
phenylmethoxyalumane
CID 153167769
2,2-difluoroethenoxymethylbenzene
CID 53483110
benzyl N-hydroxymethanimidate
CID 134694398

Frequently Asked Questions

What is the IUPAC name of [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene?
The IUPAC name of [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene (CID 21116647) is [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene.
What is the SMILES notation for [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene?
The canonical SMILES for [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene is C1=CC/C(=C/OCc2ccccc2)CC1.
What is the InChIKey of [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene?
The InChIKey is JEVXQVKXMWAWQE-OWBHPGMISA-N. The full InChI is InChI=1S/C14H16O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8,12H,6,9-11H2/b14-12-.
What are the key properties of [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene?
[(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene has a molecular weight of 200.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-cyclohex-3-en-1-ylidenemethoxy]methylbenzene is sourced from PubChem (CID 21116647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).