5-pentan-3-yloxypentan-2-one

C10H20O2 — CID 23245420

IUPAC5-pentan-3-yloxypentan-2-one
SMILESCCC(CC)OCCCC(C)=O
InChIInChI=1S/C10H20O2/c1-4-10(5-2)12-8-6-7-9(3)11/h10H,4-8H2,1-3H3
InChIKeyFWGHMLAKLHKMKK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.56
Rot. Bonds7

About 5-pentan-3-yloxypentan-2-one

5-pentan-3-yloxypentan-2-one (PubChem CID 23245420) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-pentan-3-yloxypentan-2-one.

Molecular Properties

Compound Name5-pentan-3-yloxypentan-2-one
PubChem CID23245420
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-pentan-3-yloxypentan-2-one
SMILESCCC(CC)OCCCC(C)=O
InChIInChI=1S/C10H20O2/c1-4-10(5-2)12-8-6-7-9(3)11/h10H,4-8H2,1-3H3
InChIKeyFWGHMLAKLHKMKK-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yloxypentan-2-one?
The IUPAC name of 5-pentan-3-yloxypentan-2-one (CID 23245420) is 5-pentan-3-yloxypentan-2-one.
What is the SMILES notation for 5-pentan-3-yloxypentan-2-one?
The canonical SMILES for 5-pentan-3-yloxypentan-2-one is CCC(CC)OCCCC(C)=O.
What is the InChIKey of 5-pentan-3-yloxypentan-2-one?
The InChIKey is FWGHMLAKLHKMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-10(5-2)12-8-6-7-9(3)11/h10H,4-8H2,1-3H3.
What are the key properties of 5-pentan-3-yloxypentan-2-one?
5-pentan-3-yloxypentan-2-one has a molecular weight of 172.27 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yloxypentan-2-one is sourced from PubChem (CID 23245420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).