ethyl acetate;ethyl 3-butylbenzoate

C17H26O4 — CID 158218929

IUPACethyl acetate;ethyl 3-butylbenzoate
SMILESCCCCc1cccc(C(=O)OCC)c1.CCOC(C)=O
InChIInChI=1S/C13H18O2.C4H8O2/c1-3-5-7-11-8-6-9-12(10-11)13(14)15-4-2;1-3-6-4(2)5/h6,8-10H,3-5,7H2,1-2H3;3H2,1-2H3
InChIKeyGCZVQANYVICBSB-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.78
Rot. Bonds6

About ethyl acetate;ethyl 3-butylbenzoate

ethyl acetate;ethyl 3-butylbenzoate (PubChem CID 158218929) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl acetate;ethyl 3-butylbenzoate.

Molecular Properties

Compound Nameethyl acetate;ethyl 3-butylbenzoate
PubChem CID158218929
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nameethyl acetate;ethyl 3-butylbenzoate
SMILESCCCCc1cccc(C(=O)OCC)c1.CCOC(C)=O
InChIInChI=1S/C13H18O2.C4H8O2/c1-3-5-7-11-8-6-9-12(10-11)13(14)15-4-2;1-3-6-4(2)5/h6,8-10H,3-5,7H2,1-2H3;3H2,1-2H3
InChIKeyGCZVQANYVICBSB-UHFFFAOYSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-butylbenzoyl) 3-butylbenzoate
CID 139993178
ethyl 3-(4-oxobutyl)benzoate
CID 23468111
acetyl 3-octylbenzoate
CID 57291540
2-decoxyethyl 3-butylbenzoate
CID 140608717
ethyl 3-(aminomethyl)benzoate
CID 15079215
diethyl benzene-1,3-dicarboxylate
CID 12491
propyl 3-(3-hydroxypropyl)benzoate
CID 10443536
lithium 3-butylbenzoate
CID 101299949
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582431
ethyl 3-acetylbenzoate
CID 11298463
3-O-decyl 1-O-ethyl benzene-1,3-dicarboxylate
CID 525144
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;ethyl 3-butylbenzoate?
The IUPAC name of ethyl acetate;ethyl 3-butylbenzoate (CID 158218929) is ethyl acetate;ethyl 3-butylbenzoate.
What is the SMILES notation for ethyl acetate;ethyl 3-butylbenzoate?
The canonical SMILES for ethyl acetate;ethyl 3-butylbenzoate is CCCCc1cccc(C(=O)OCC)c1.CCOC(C)=O.
What is the InChIKey of ethyl acetate;ethyl 3-butylbenzoate?
The InChIKey is GCZVQANYVICBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C4H8O2/c1-3-5-7-11-8-6-9-12(10-11)13(14)15-4-2;1-3-6-4(2)5/h6,8-10H,3-5,7H2,1-2H3;3H2,1-2H3.
What are the key properties of ethyl acetate;ethyl 3-butylbenzoate?
ethyl acetate;ethyl 3-butylbenzoate has a molecular weight of 294.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;ethyl 3-butylbenzoate is sourced from PubChem (CID 158218929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).