2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane

C16H20O — CID 173421955

IUPAC2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane
SMILESC=CCC(Cc1ccccc1)C1(CC=C)CO1
InChIInChI=1S/C16H20O/c1-3-8-15(16(11-4-2)13-17-16)12-14-9-6-5-7-10-14/h3-7,9-10,15H,1-2,8,11-13H2
InChIKeyGATARNUAPVIPPJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.77
Rot. Bonds7

About 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane

2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane (PubChem CID 173421955) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane.

Molecular Properties

Compound Name2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane
PubChem CID173421955
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane
SMILESC=CCC(Cc1ccccc1)C1(CC=C)CO1
InChIInChI=1S/C16H20O/c1-3-8-15(16(11-4-2)13-17-16)12-14-9-6-5-7-10-14/h3-7,9-10,15H,1-2,8,11-13H2
InChIKeyGATARNUAPVIPPJ-UHFFFAOYSA-N
XLogP3.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane 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

(2R)-1-phenylpent-4-en-2-ol
CID 11309688
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
N-[(2R)-1-phenylpent-4-en-2-yl]propan-2-imine
CID 125466288
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
benzyl-tris(prop-2-enyl)phosphanium
CID 66801422
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
benzyl-tris(prop-2-enyl)phosphanium;ethene
CID 174788600
(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol
CID 10945056
3-phenyl-2-(2-propyl-1,3-dioxolan-2-yl)propan-1-amine
CID 11276746
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
2-(1-methylcyclopropyl)but-3-enylbenzene
CID 142432672

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane?
The IUPAC name of 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane (CID 173421955) is 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane.
What is the SMILES notation for 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane?
The canonical SMILES for 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane is C=CCC(Cc1ccccc1)C1(CC=C)CO1.
What is the InChIKey of 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane?
The InChIKey is GATARNUAPVIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-8-15(16(11-4-2)13-17-16)12-14-9-6-5-7-10-14/h3-7,9-10,15H,1-2,8,11-13H2.
What are the key properties of 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane?
2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane has a molecular weight of 228.34 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpent-4-en-2-yl)-2-prop-2-enyloxirane is sourced from PubChem (CID 173421955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).