2-ethoxypentan-3-one

C7H14O2 — CID 53440616

IUPAC2-ethoxypentan-3-one
SMILESCCOC(C)C(=O)CC
InChIInChI=1S/C7H14O2/c1-4-7(8)6(3)9-5-2/h6H,4-5H2,1-3H3
InChIKeyRHLIVHZCZQIOND-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.39
Rot. Bonds4

About 2-ethoxypentan-3-one

2-ethoxypentan-3-one (PubChem CID 53440616) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethoxypentan-3-one.

Molecular Properties

Compound Name2-ethoxypentan-3-one
PubChem CID53440616
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethoxypentan-3-one
SMILESCCOC(C)C(=O)CC
InChIInChI=1S/C7H14O2/c1-4-7(8)6(3)9-5-2/h6H,4-5H2,1-3H3
InChIKeyRHLIVHZCZQIOND-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypentan-3-one?
The IUPAC name of 2-ethoxypentan-3-one (CID 53440616) is 2-ethoxypentan-3-one.
What is the SMILES notation for 2-ethoxypentan-3-one?
The canonical SMILES for 2-ethoxypentan-3-one is CCOC(C)C(=O)CC.
What is the InChIKey of 2-ethoxypentan-3-one?
The InChIKey is RHLIVHZCZQIOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(8)6(3)9-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 2-ethoxypentan-3-one?
2-ethoxypentan-3-one has a molecular weight of 130.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypentan-3-one is sourced from PubChem (CID 53440616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).