2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane

C19H24O2 — CID 139261311

IUPAC2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane
SMILESC=CCC(=C=Cc1ccccc1)CCOC1CCCCO1
InChIInChI=1S/C19H24O2/c1-2-8-17(12-13-18-9-4-3-5-10-18)14-16-21-19-11-6-7-15-20-19/h2-5,9-10,13,19H,1,6-8,11,14-16H2
InChIKeyUICZHJNFQWXGRR-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.73
Rot. Bonds7

About 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane

2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane (PubChem CID 139261311) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane.

Molecular Properties

Compound Name2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane
PubChem CID139261311
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane
SMILESC=CCC(=C=Cc1ccccc1)CCOC1CCCCO1
InChIInChI=1S/C19H24O2/c1-2-8-17(12-13-18-9-4-3-5-10-18)14-16-21-19-11-6-7-15-20-19/h2-5,9-10,13,19H,1,6-8,11,14-16H2
InChIKeyUICZHJNFQWXGRR-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.73
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
1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
CID 95266
alpha-Amylcinnamaldehyde diethyl acetal
CID 108505
(3,3-Diethoxypropyl)benzene
CID 64820
Benzene, [2,2-bis(3-methylbutoxy)ethyl]-
CID 109464
2H-Pyran, tetrahydro-2-(2-phenylethoxy)-
CID 102717
Benzene, [2,2-bis[(3,7-dimethyl-6-octen-1-yl)oxy]ethyl]-
CID 106732

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane?
The IUPAC name of 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane (CID 139261311) is 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane.
What is the SMILES notation for 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane?
The canonical SMILES for 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane is C=CCC(=C=Cc1ccccc1)CCOC1CCCCO1.
What is the InChIKey of 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane?
The InChIKey is UICZHJNFQWXGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-2-8-17(12-13-18-9-4-3-5-10-18)14-16-21-19-11-6-7-15-20-19/h2-5,9-10,13,19H,1,6-8,11,14-16H2.
What are the key properties of 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane?
2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane has a molecular weight of 284.40 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethenylidene)hex-5-enoxy]oxane is sourced from PubChem (CID 139261311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).