2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate

C19H28O3 — CID 146237456

IUPAC2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate
SMILESC=C(C)COc1ccccc1C(=O)OCC(CC)CCCC
InChIInChI=1S/C19H28O3/c1-5-7-10-16(6-2)14-22-19(20)17-11-8-9-12-18(17)21-13-15(3)4/h8-9,11-12,16H,3,5-7,10,13-14H2,1-2,4H3
InChIKeyJZPOSTNJXRIHBZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.01
Rot. Bonds10

About 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate

2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate (PubChem CID 146237456) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate.

Molecular Properties

Compound Name2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate
PubChem CID146237456
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate
SMILESC=C(C)COc1ccccc1C(=O)OCC(CC)CCCC
InChIInChI=1S/C19H28O3/c1-5-7-10-16(6-2)14-22-19(20)17-11-8-9-12-18(17)21-13-15(3)4/h8-9,11-12,16H,3,5-7,10,13-14H2,1-2,4H3
InChIKeyJZPOSTNJXRIHBZ-UHFFFAOYSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
CID 3020636
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
CID 174954511
CID 174954511
2-ethylhexyl 2-(diethylamino)benzoate
CID 68841644
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
2-ethylhexyl 2-[2-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzoate
CID 69298570

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate?
The IUPAC name of 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate (CID 146237456) is 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate.
What is the SMILES notation for 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate?
The canonical SMILES for 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate is C=C(C)COc1ccccc1C(=O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate?
The InChIKey is JZPOSTNJXRIHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-5-7-10-16(6-2)14-22-19(20)17-11-8-9-12-18(17)21-13-15(3)4/h8-9,11-12,16H,3,5-7,10,13-14H2,1-2,4H3.
What are the key properties of 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate?
2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate has a molecular weight of 304.43 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate is sourced from PubChem (CID 146237456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).