3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane

C19H28O2 — CID 176602992

IUPAC3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane
SMILESCCC1(CCCO/C=C(/C)c2ccccc2)CCCOC1
InChIInChI=1S/C19H28O2/c1-3-19(12-8-14-21-16-19)11-7-13-20-15-17(2)18-9-5-4-6-10-18/h4-6,9-10,15H,3,7-8,11-14,16H2,1-2H3/b17-15-
InChIKeyPRTOGWPCHCNJOY-ICFOKQHNSA-N
MW288.43 g/mol
LogP5.05
Rot. Bonds7

About 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane

3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane (PubChem CID 176602992) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane.

Molecular Properties

Compound Name3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane
PubChem CID176602992
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane
SMILESCCC1(CCCO/C=C(/C)c2ccccc2)CCCOC1
InChIInChI=1S/C19H28O2/c1-3-19(12-8-14-21-16-19)11-7-13-20-15-17(2)18-9-5-4-6-10-18/h4-6,9-10,15H,3,7-8,11-14,16H2,1-2H3/b17-15-
InChIKeyPRTOGWPCHCNJOY-ICFOKQHNSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxocane
CID 176604181
4-ethyl-4-[[(Z)-2-phenylprop-1-enoxy]methyl]thiane
CID 176603308
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448
2-methyl-2-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiirane
CID 176604237
1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
CID 155674731
4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane
CID 176604802
2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiirane 1-oxide
CID 176603220
N-methyl-1-[3-(2-phenoxyethyl)oxan-3-yl]methanamine
CID 55151607
(3-octyloxan-3-yl)methanol
CID 66058603
3,3-dipentyloxane
CID 174267507
[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
CID 66060087
2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiocane 1-oxide
CID 176603526

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane?
The IUPAC name of 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane (CID 176602992) is 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane.
What is the SMILES notation for 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane?
The canonical SMILES for 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane is CCC1(CCCO/C=C(/C)c2ccccc2)CCCOC1.
What is the InChIKey of 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane?
The InChIKey is PRTOGWPCHCNJOY-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-19(12-8-14-21-16-19)11-7-13-20-15-17(2)18-9-5-4-6-10-18/h4-6,9-10,15H,3,7-8,11-14,16H2,1-2H3/b17-15-.
What are the key properties of 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane?
3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane has a molecular weight of 288.43 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane is sourced from PubChem (CID 176602992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).