4-pentoxypentan-2-one

C10H20O2 — CID 64698356

IUPAC4-pentoxypentan-2-one
SMILESCCCCCOC(C)CC(C)=O
InChIInChI=1S/C10H20O2/c1-4-5-6-7-12-10(3)8-9(2)11/h10H,4-8H2,1-3H3
InChIKeyFKSGLOSCDSICDK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.56
Rot. Bonds7

About 4-pentoxypentan-2-one

4-pentoxypentan-2-one (PubChem CID 64698356) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-pentoxypentan-2-one.

Molecular Properties

Compound Name4-pentoxypentan-2-one
PubChem CID64698356
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-pentoxypentan-2-one
SMILESCCCCCOC(C)CC(C)=O
InChIInChI=1S/C10H20O2/c1-4-5-6-7-12-10(3)8-9(2)11/h10H,4-8H2,1-3H3
InChIKeyFKSGLOSCDSICDK-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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Related Compounds

4-heptoxypentan-2-one
CID 64698347
3-hexoxybutanoic acid
CID 43536148
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
6-octan-2-yloxyhexan-2-one
CID 43793687
3-pentoxybutan-2-one
CID 43801294
2-(2-heptoxypropoxy)propyl acetate
CID 155100621
1-(4-methylpentan-2-yloxy)dodecane
CID 15431041
2-pentoxypropanamide
CID 62900296
methane;2-octadecoxypropan-1-ol
CID 178185801
pentyl 2-amino-4-oxopentanoate
CID 154083571
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684

Frequently Asked Questions

What is the IUPAC name of 4-pentoxypentan-2-one?
The IUPAC name of 4-pentoxypentan-2-one (CID 64698356) is 4-pentoxypentan-2-one.
What is the SMILES notation for 4-pentoxypentan-2-one?
The canonical SMILES for 4-pentoxypentan-2-one is CCCCCOC(C)CC(C)=O.
What is the InChIKey of 4-pentoxypentan-2-one?
The InChIKey is FKSGLOSCDSICDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-7-12-10(3)8-9(2)11/h10H,4-8H2,1-3H3.
What are the key properties of 4-pentoxypentan-2-one?
4-pentoxypentan-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 4-pentoxypentan-2-one is sourced from PubChem (CID 64698356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).