2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate

C15H28O3 — CID 139797933

IUPAC2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OCC(CC)CCCC
InChIInChI=1S/C15H28O3/c1-7-9-10-13(8-2)11-17-15(5,6)18-14(16)12(3)4/h13H,3,7-11H2,1-2,4-6H3
InChIKeyFWLXVLHOFLGSEV-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.07
Rot. Bonds9

About 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate

2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate (PubChem CID 139797933) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate
PubChem CID139797933
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)OCC(CC)CCCC
InChIInChI=1S/C15H28O3/c1-7-9-10-13(8-2)11-17-15(5,6)18-14(16)12(3)4/h13H,3,7-11H2,1-2,4-6H3
InChIKeyFWLXVLHOFLGSEV-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl methacrylate
CID 12713
2-Propenoic acid, 2-methyl-, 2-methylhexyl ester
CID 108431
2-Butyloctyl 2-methyl-2-propenoate
CID 24916
2-Propylheptyl 2-methylprop-2-enoate
CID 85698844
2-Propenoic acid, 2-methyl-, isooctyl ester
CID 120007
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymer with ethyl 2-propenoate
CID 6454004
2-Ethylhexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 20191601
2-Ethylhexyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 89923685
2-(2-Ethylhexoxy)ethyl 2-methylprop-2-enoate
CID 229996
2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester
CID 106998
2-Propenoic acid, 2-methyl-, cyclohexylmethyl ester
CID 9920551
Ethenyl acetate;2-ethylhexyl 2-methylprop-2-enoate
CID 9971135

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate (CID 139797933) is 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)OCC(CC)CCCC.
What is the InChIKey of 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is FWLXVLHOFLGSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-7-9-10-13(8-2)11-17-15(5,6)18-14(16)12(3)4/h13H,3,7-11H2,1-2,4-6H3.
What are the key properties of 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate?
2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 256.39 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139797933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).