propyl acetate;propyl benzoate

C15H22O4 — CID 123140515

IUPACpropyl acetate;propyl benzoate
SMILESCCCOC(=O)c1ccccc1.CCCOC(C)=O
InChIInChI=1S/C10H12O2.C5H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9;1-3-4-7-5(2)6/h3-7H,2,8H2,1H3;3-4H2,1-2H3
InChIKeyQYCAKSXUXCCKOJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.21
Rot. Bonds5

About propyl acetate;propyl benzoate

propyl acetate;propyl benzoate (PubChem CID 123140515) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is propyl acetate;propyl benzoate.

Molecular Properties

Compound Namepropyl acetate;propyl benzoate
PubChem CID123140515
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namepropyl acetate;propyl benzoate
SMILESCCCOC(=O)c1ccccc1.CCCOC(C)=O
InChIInChI=1S/C10H12O2.C5H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9;1-3-4-7-5(2)6/h3-7H,2,8H2,1H3;3-4H2,1-2H3
InChIKeyQYCAKSXUXCCKOJ-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diphenyl-(4-propoxycarbonylphenyl)sulfanium
CID 164747685
(111C)butyl benzoate
CID 11994383
methanol;prop-2-enoic acid;propyl benzoate
CID 141098726
benzoyl benzoate;butyl acetate
CID 174908131
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
3-oxobutyl benzoate
CID 10899468
CID 172820816
CID 172820816
benzoic acid;butyl acetate
CID 67420594
propyl 3-acetylbenzoate
CID 153251461

Frequently Asked Questions

What is the IUPAC name of propyl acetate;propyl benzoate?
The IUPAC name of propyl acetate;propyl benzoate (CID 123140515) is propyl acetate;propyl benzoate.
What is the SMILES notation for propyl acetate;propyl benzoate?
The canonical SMILES for propyl acetate;propyl benzoate is CCCOC(=O)c1ccccc1.CCCOC(C)=O.
What is the InChIKey of propyl acetate;propyl benzoate?
The InChIKey is QYCAKSXUXCCKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C5H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9;1-3-4-7-5(2)6/h3-7H,2,8H2,1H3;3-4H2,1-2H3.
What are the key properties of propyl acetate;propyl benzoate?
propyl acetate;propyl benzoate has a molecular weight of 266.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl acetate;propyl benzoate is sourced from PubChem (CID 123140515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).