2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate

C13H20O4 — CID 141014982

IUPAC2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(CCC)OC(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-7-8-13(6,16-11(14)9(2)3)17-12(15)10(4)5/h2,4,7-8H2,1,3,5-6H3
InChIKeyIUHFKPYEUDYFNC-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate

2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate (PubChem CID 141014982) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
PubChem CID141014982
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(CCC)OC(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-7-8-13(6,16-11(14)9(2)3)17-12(15)10(4)5/h2,4,7-8H2,1,3,5-6H3
InChIKeyIUHFKPYEUDYFNC-UHFFFAOYSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate 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-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
(3-acetyloxy-2-oxohexan-3-yl) 2-methylprop-2-enoate
CID 22041923
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
[1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)heptan-4-yl] 2-methylprop-2-enoate
CID 90253905
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
(1-amino-2-methyl-1-oxohexan-2-yl) 2-methylprop-2-enoate
CID 174478502
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate (CID 141014982) is 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(CCC)OC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate?
The InChIKey is IUHFKPYEUDYFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-7-8-13(6,16-11(14)9(2)3)17-12(15)10(4)5/h2,4,7-8H2,1,3,5-6H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate?
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 141014982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).