propyl butanoate

C7H14O2 — CID 7770

IUPACpropyl butanoate
SMILESCCCOC(=O)CCC
InChIInChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
InChIKeyHUAZGNHGCJGYNP-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.74
Rot. Bonds4

About propyl butanoate

propyl butanoate (PubChem CID 7770) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is propyl butanoate.

Molecular Properties

Compound Namepropyl butanoate
PubChem CID7770
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namepropyl butanoate
SMILESCCCOC(=O)CCC
InChIInChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
InChIKeyHUAZGNHGCJGYNP-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl butanoate?
The IUPAC name of propyl butanoate (CID 7770) is propyl butanoate.
What is the SMILES notation for propyl butanoate?
The canonical SMILES for propyl butanoate is CCCOC(=O)CCC.
What is the InChIKey of propyl butanoate?
The InChIKey is HUAZGNHGCJGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3.
What are the key properties of propyl butanoate?
propyl butanoate has a molecular weight of 130.19 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl butanoate is sourced from PubChem (CID 7770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).