4-propoxypentan-2-one

C8H16O2 — CID 64698354

IUPAC4-propoxypentan-2-one
SMILESCCCOC(C)CC(C)=O
InChIInChI=1S/C8H16O2/c1-4-5-10-8(3)6-7(2)9/h8H,4-6H2,1-3H3
InChIKeyKQGIVWIWURUPJX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.78
Rot. Bonds5

About 4-propoxypentan-2-one

4-propoxypentan-2-one (PubChem CID 64698354) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-propoxypentan-2-one.

Molecular Properties

Compound Name4-propoxypentan-2-one
PubChem CID64698354
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-propoxypentan-2-one
SMILESCCCOC(C)CC(C)=O
InChIInChI=1S/C8H16O2/c1-4-5-10-8(3)6-7(2)9/h8H,4-6H2,1-3H3
InChIKeyKQGIVWIWURUPJX-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propoxypentan-2-one?
The IUPAC name of 4-propoxypentan-2-one (CID 64698354) is 4-propoxypentan-2-one.
What is the SMILES notation for 4-propoxypentan-2-one?
The canonical SMILES for 4-propoxypentan-2-one is CCCOC(C)CC(C)=O.
What is the InChIKey of 4-propoxypentan-2-one?
The InChIKey is KQGIVWIWURUPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-10-8(3)6-7(2)9/h8H,4-6H2,1-3H3.
What are the key properties of 4-propoxypentan-2-one?
4-propoxypentan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxypentan-2-one is sourced from PubChem (CID 64698354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).