4-(2-methoxyethoxy)pentan-2-one

C8H16O3 — CID 64697954

IUPAC4-(2-methoxyethoxy)pentan-2-one
SMILESCOCCOC(C)CC(C)=O
InChIInChI=1S/C8H16O3/c1-7(9)6-8(2)11-5-4-10-3/h8H,4-6H2,1-3H3
InChIKeyMZLIDZFFOJLMAX-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.02
Rot. Bonds6

About 4-(2-methoxyethoxy)pentan-2-one

4-(2-methoxyethoxy)pentan-2-one (PubChem CID 64697954) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)pentan-2-one.

Molecular Properties

Compound Name4-(2-methoxyethoxy)pentan-2-one
PubChem CID64697954
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(2-methoxyethoxy)pentan-2-one
SMILESCOCCOC(C)CC(C)=O
InChIInChI=1S/C8H16O3/c1-7(9)6-8(2)11-5-4-10-3/h8H,4-6H2,1-3H3
InChIKeyMZLIDZFFOJLMAX-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
4-pentoxypentan-2-one
CID 64698356
(4R)-4-methoxypentan-2-one
CID 10749159
4-heptoxypentan-2-one
CID 64698347
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
tert-butyl (4S)-4-(2-methoxyethoxy)-2-oxopentanoate
CID 129072372
ethane;2-(2-methoxyethoxy)butane
CID 168922397
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
3,5-bis(2-methoxyethoxy)hexanamide
CID 177091075
4-(cyclopropylmethoxy)pentan-2-one
CID 64697956

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)pentan-2-one?
The IUPAC name of 4-(2-methoxyethoxy)pentan-2-one (CID 64697954) is 4-(2-methoxyethoxy)pentan-2-one.
What is the SMILES notation for 4-(2-methoxyethoxy)pentan-2-one?
The canonical SMILES for 4-(2-methoxyethoxy)pentan-2-one is COCCOC(C)CC(C)=O.
What is the InChIKey of 4-(2-methoxyethoxy)pentan-2-one?
The InChIKey is MZLIDZFFOJLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(9)6-8(2)11-5-4-10-3/h8H,4-6H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)pentan-2-one?
4-(2-methoxyethoxy)pentan-2-one has a molecular weight of 160.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)pentan-2-one is sourced from PubChem (CID 64697954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).