2-(2-methylidene-4-phenylbutoxy)oxane

C16H22O2 — CID 86001164

IUPAC2-(2-methylidene-4-phenylbutoxy)oxane
SMILESC=C(CCc1ccccc1)COC1CCCCO1
InChIInChI=1S/C16H22O2/c1-14(10-11-15-7-3-2-4-8-15)13-18-16-9-5-6-12-17-16/h2-4,7-8,16H,1,5-6,9-13H2
InChIKeyWUJBYZINGBVASA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.72
Rot. Bonds6

About 2-(2-methylidene-4-phenylbutoxy)oxane

2-(2-methylidene-4-phenylbutoxy)oxane (PubChem CID 86001164) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-methylidene-4-phenylbutoxy)oxane.

Molecular Properties

Compound Name2-(2-methylidene-4-phenylbutoxy)oxane
PubChem CID86001164
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(2-methylidene-4-phenylbutoxy)oxane
SMILESC=C(CCc1ccccc1)COC1CCCCO1
InChIInChI=1S/C16H22O2/c1-14(10-11-15-7-3-2-4-8-15)13-18-16-9-5-6-12-17-16/h2-4,7-8,16H,1,5-6,9-13H2
InChIKeyWUJBYZINGBVASA-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Acetaldehyde phenethyl propyl acetal
CID 61403
Phenyl acetaldehyde diisobutyl acetal
CID 71544
Phenylacetaldehyde diethyl acetal
CID 80584
Acetaldehyde butyl phenethyl acetal
CID 62876
1,1-Bis(phenethyloxy)ethane
CID 101592
Benzene, (2-(1-ethoxyethoxy)ethyl)-
CID 102849
alpha-Amylcinnamaldehyde dimethyl acetal
CID 6005821
2-Phenyl-1,3-dioxane
CID 69874
alpha-Amylcinnamaldehyde diethyl acetal
CID 108505
1,1-Dimethoxy-3-phenylpropane
CID 95979
[2-(Dimethoxymethyl)-1-heptenyl]benzene
CID 62337
(2,2-Bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl)benzene
CID 81572

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidene-4-phenylbutoxy)oxane?
The IUPAC name of 2-(2-methylidene-4-phenylbutoxy)oxane (CID 86001164) is 2-(2-methylidene-4-phenylbutoxy)oxane.
What is the SMILES notation for 2-(2-methylidene-4-phenylbutoxy)oxane?
The canonical SMILES for 2-(2-methylidene-4-phenylbutoxy)oxane is C=C(CCc1ccccc1)COC1CCCCO1.
What is the InChIKey of 2-(2-methylidene-4-phenylbutoxy)oxane?
The InChIKey is WUJBYZINGBVASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-14(10-11-15-7-3-2-4-8-15)13-18-16-9-5-6-12-17-16/h2-4,7-8,16H,1,5-6,9-13H2.
What are the key properties of 2-(2-methylidene-4-phenylbutoxy)oxane?
2-(2-methylidene-4-phenylbutoxy)oxane has a molecular weight of 246.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidene-4-phenylbutoxy)oxane is sourced from PubChem (CID 86001164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).