propanoic acid;1,2,3,4-tetramethylbenzene

C13H20O2 — CID 23621081

IUPACpropanoic acid;1,2,3,4-tetramethylbenzene
SMILESCCC(=O)O.Cc1ccc(C)c(C)c1C
InChIInChI=1S/C10H14.C3H6O2/c1-7-5-6-8(2)10(4)9(7)3;1-2-3(4)5/h5-6H,1-4H3;2H2,1H3,(H,4,5)
InChIKeyGNYDZCYKCWFEBP-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.40
Rot. Bonds1

About propanoic acid;1,2,3,4-tetramethylbenzene

propanoic acid;1,2,3,4-tetramethylbenzene (PubChem CID 23621081) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is propanoic acid;1,2,3,4-tetramethylbenzene.

Molecular Properties

Compound Namepropanoic acid;1,2,3,4-tetramethylbenzene
PubChem CID23621081
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namepropanoic acid;1,2,3,4-tetramethylbenzene
SMILESCCC(=O)O.Cc1ccc(C)c(C)c1C
InChIInChI=1S/C10H14.C3H6O2/c1-7-5-6-8(2)10(4)9(7)3;1-2-3(4)5/h5-6H,1-4H3;2H2,1H3,(H,4,5)
InChIKeyGNYDZCYKCWFEBP-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;1,2,3,4-tetramethylbenzene?
The IUPAC name of propanoic acid;1,2,3,4-tetramethylbenzene (CID 23621081) is propanoic acid;1,2,3,4-tetramethylbenzene.
What is the SMILES notation for propanoic acid;1,2,3,4-tetramethylbenzene?
The canonical SMILES for propanoic acid;1,2,3,4-tetramethylbenzene is CCC(=O)O.Cc1ccc(C)c(C)c1C.
What is the InChIKey of propanoic acid;1,2,3,4-tetramethylbenzene?
The InChIKey is GNYDZCYKCWFEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H6O2/c1-7-5-6-8(2)10(4)9(7)3;1-2-3(4)5/h5-6H,1-4H3;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;1,2,3,4-tetramethylbenzene?
propanoic acid;1,2,3,4-tetramethylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;1,2,3,4-tetramethylbenzene is sourced from PubChem (CID 23621081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).