2-propoxypropyl propanoate;toluene

C16H26O3 — CID 145115506

IUPAC2-propoxypropyl propanoate;toluene
SMILESCCCOC(C)COC(=O)CC.Cc1ccccc1
InChIInChI=1S/C9H18O3.C7H8/c1-4-6-11-8(3)7-12-9(10)5-2;1-7-5-3-2-4-6-7/h8H,4-7H2,1-3H3;2-6H,1H3
InChIKeyCCTBQNJOSYODSG-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.75
Rot. Bonds6

About 2-propoxypropyl propanoate;toluene

2-propoxypropyl propanoate;toluene (PubChem CID 145115506) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-propoxypropyl propanoate;toluene.

Molecular Properties

Compound Name2-propoxypropyl propanoate;toluene
PubChem CID145115506
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-propoxypropyl propanoate;toluene
SMILESCCCOC(C)COC(=O)CC.Cc1ccccc1
InChIInChI=1S/C9H18O3.C7H8/c1-4-6-11-8(3)7-12-9(10)5-2;1-7-5-3-2-4-6-7/h8H,4-7H2,1-3H3;2-6H,1H3
InChIKeyCCTBQNJOSYODSG-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propoxypropyl propanoate;toluene 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

tert-butyl carbamate;2-(2-methylpropoxy)propyl propanoate;toluene
CID 145115480
tert-butyl carbamate;2-propoxypropyl propanoate
CID 145115546
ethyl 3-methoxy-2-methylpropanoate;toluene
CID 175465833
2-methylpropyl acetate;toluene
CID 19602176
2-(2-cyclopropylethoxy)propyl propanoate
CID 145115500
(1-phenyl-1-propoxypropan-2-yl) propanoate
CID 155148718
4-methylphenol;propyl propanoate
CID 174290139
[(2R)-2-hydroxy-2-phenylethyl] propanoate
CID 10442612
(3-chloro-3-oxo-2-phenylpropyl) propanoate
CID 150567545
diethyl 2-bromopropanedioate;toluene
CID 174851876
1-phenoxypropan-2-yl 2-propoxypropanoate
CID 173394224
[(2S)-2-phenylmethoxypropyl] 2-bromoacetate
CID 131871221

Frequently Asked Questions

What is the IUPAC name of 2-propoxypropyl propanoate;toluene?
The IUPAC name of 2-propoxypropyl propanoate;toluene (CID 145115506) is 2-propoxypropyl propanoate;toluene.
What is the SMILES notation for 2-propoxypropyl propanoate;toluene?
The canonical SMILES for 2-propoxypropyl propanoate;toluene is CCCOC(C)COC(=O)CC.Cc1ccccc1.
What is the InChIKey of 2-propoxypropyl propanoate;toluene?
The InChIKey is CCTBQNJOSYODSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.C7H8/c1-4-6-11-8(3)7-12-9(10)5-2;1-7-5-3-2-4-6-7/h8H,4-7H2,1-3H3;2-6H,1H3.
What are the key properties of 2-propoxypropyl propanoate;toluene?
2-propoxypropyl propanoate;toluene has a molecular weight of 266.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxypropyl propanoate;toluene is sourced from PubChem (CID 145115506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).