4-(4-oxopentan-2-yloxy)pentan-2-one

C10H18O3 — CID 87311586

IUPAC4-(4-oxopentan-2-yloxy)pentan-2-one
SMILESCC(=O)CC(C)OC(C)CC(C)=O
InChIInChI=1S/C10H18O3/c1-7(11)5-9(3)13-10(4)6-8(2)12/h9-10H,5-6H2,1-4H3
InChIKeyBSKFUZIXOAFCNP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.74
Rot. Bonds6

About 4-(4-oxopentan-2-yloxy)pentan-2-one

4-(4-oxopentan-2-yloxy)pentan-2-one (PubChem CID 87311586) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(4-oxopentan-2-yloxy)pentan-2-one.

Molecular Properties

Compound Name4-(4-oxopentan-2-yloxy)pentan-2-one
PubChem CID87311586
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(4-oxopentan-2-yloxy)pentan-2-one
SMILESCC(=O)CC(C)OC(C)CC(C)=O
InChIInChI=1S/C10H18O3/c1-7(11)5-9(3)13-10(4)6-8(2)12/h9-10H,5-6H2,1-4H3
InChIKeyBSKFUZIXOAFCNP-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopentan-2-yloxy)pentan-2-one?
The IUPAC name of 4-(4-oxopentan-2-yloxy)pentan-2-one (CID 87311586) is 4-(4-oxopentan-2-yloxy)pentan-2-one.
What is the SMILES notation for 4-(4-oxopentan-2-yloxy)pentan-2-one?
The canonical SMILES for 4-(4-oxopentan-2-yloxy)pentan-2-one is CC(=O)CC(C)OC(C)CC(C)=O.
What is the InChIKey of 4-(4-oxopentan-2-yloxy)pentan-2-one?
The InChIKey is BSKFUZIXOAFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(11)5-9(3)13-10(4)6-8(2)12/h9-10H,5-6H2,1-4H3.
What are the key properties of 4-(4-oxopentan-2-yloxy)pentan-2-one?
4-(4-oxopentan-2-yloxy)pentan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopentan-2-yloxy)pentan-2-one is sourced from PubChem (CID 87311586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).