(2-methyl-2-phenylpropyl) prop-2-enoate

C13H16O2 — CID 141318899

IUPAC(2-methyl-2-phenylpropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)c1ccccc1
InChIInChI=1S/C13H16O2/c1-4-12(14)15-10-13(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKeyHLDYXGLDGSXMKD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.69
Rot. Bonds4

About (2-methyl-2-phenylpropyl) prop-2-enoate

(2-methyl-2-phenylpropyl) prop-2-enoate (PubChem CID 141318899) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-methyl-2-phenylpropyl) prop-2-enoate.

Molecular Properties

Compound Name(2-methyl-2-phenylpropyl) prop-2-enoate
PubChem CID141318899
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2-methyl-2-phenylpropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)c1ccccc1
InChIInChI=1S/C13H16O2/c1-4-12(14)15-10-13(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKeyHLDYXGLDGSXMKD-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 139685478
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(3-phenyl-3-phenylsulfanylbutyl) prop-2-enoate
CID 66643609
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
(2-methyl-2-phenylpropyl) hydrogen selenate
CID 174978550
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
3-phenylpentan-3-yl prop-2-enoate
CID 22709184
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
(2-methyl-1-phosphorosooxypropan-2-yl)benzene
CID 175140149
[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
CID 20746570

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylpropyl) prop-2-enoate?
The IUPAC name of (2-methyl-2-phenylpropyl) prop-2-enoate (CID 141318899) is (2-methyl-2-phenylpropyl) prop-2-enoate.
What is the SMILES notation for (2-methyl-2-phenylpropyl) prop-2-enoate?
The canonical SMILES for (2-methyl-2-phenylpropyl) prop-2-enoate is C=CC(=O)OCC(C)(C)c1ccccc1.
What is the InChIKey of (2-methyl-2-phenylpropyl) prop-2-enoate?
The InChIKey is HLDYXGLDGSXMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-12(14)15-10-13(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3.
What are the key properties of (2-methyl-2-phenylpropyl) prop-2-enoate?
(2-methyl-2-phenylpropyl) prop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylpropyl) prop-2-enoate is sourced from PubChem (CID 141318899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).