[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

C18H22O4 — CID 139685478

IUPAC[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(CCC)(COC(=O)C=C)c1ccccc1
InChIInChI=1S/C18H22O4/c1-4-12-18(13-21-16(19)5-2,14-22-17(20)6-3)15-10-8-7-9-11-15/h5-11H,2-4,12-14H2,1H3
InChIKeyXDEVLYVSEXJOQK-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.18
Rot. Bonds9

About [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (PubChem CID 139685478) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.

Molecular Properties

Compound Name[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
PubChem CID139685478
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(CCC)(COC(=O)C=C)c1ccccc1
InChIInChI=1S/C18H22O4/c1-4-12-18(13-21-16(19)5-2,14-22-17(20)6-3)15-10-8-7-9-11-15/h5-11H,2-4,12-14H2,1H3
InChIKeyXDEVLYVSEXJOQK-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
[2-(hydroxymethyl)-2-phenylpentyl] 2-methylbut-2-enoate
CID 57069081
4-propylhept-1-en-4-ylbenzene
CID 123221616
3-phenylpentan-3-yl prop-2-enoate
CID 22709184
[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
CID 20746570
(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate
CID 171535388
butyl prop-2-enoate;styrene;2,2,2-trifluoroethyl prop-2-enoate
CID 67725211
(3-phenyl-3-phenylsulfanylbutyl) prop-2-enoate
CID 66643609
dimethyl-(1-phenyl-1-prop-2-enoyloxyethyl)-propylazanium
CID 158895838
bis(butyl prop-2-enoate);styrene
CID 175337841
butyl prop-2-enoate;styrene
CID 68545727
(2-ethyl-2-phenylhexyl) 2-phenylprop-2-enoate
CID 66935916

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The IUPAC name of [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (CID 139685478) is [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.
What is the SMILES notation for [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The canonical SMILES for [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is C=CC(=O)OCC(CCC)(COC(=O)C=C)c1ccccc1.
What is the InChIKey of [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The InChIKey is XDEVLYVSEXJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-4-12-18(13-21-16(19)5-2,14-22-17(20)6-3)15-10-8-7-9-11-15/h5-11H,2-4,12-14H2,1H3.
What are the key properties of [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate has a molecular weight of 302.37 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is sourced from PubChem (CID 139685478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).