4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one

C13H26O4 — CID 140823499

IUPAC4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
SMILESCCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C13H26O4/c1-4-6-15-8-10-17-11-9-16-7-5-13(14)12(2)3/h12H,4-11H2,1-3H3
InChIKeyLYONPHNEVWGUHC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.06
Rot. Bonds12

About 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one

4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one (PubChem CID 140823499) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
PubChem CID140823499
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
SMILESCCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C13H26O4/c1-4-6-15-8-10-17-11-9-16-7-5-13(14)12(2)3/h12H,4-11H2,1-3H3
InChIKeyLYONPHNEVWGUHC-UHFFFAOYSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[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]ethoxy]-4-methylpentan-3-one
CID 176767842
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
4-ethyl-1-propoxyhexan-3-one
CID 105117422
2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate
CID 141473312
1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one;ethane;molecular hydrogen
CID 176567607
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
CID 152997750
1-[2-(tert-butylamino)-2-[(4-methyl-3-oxopentoxy)methyl]-3-propoxypropoxy]-4,4-dimethylpentan-3-one
CID 163268696
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one?
The IUPAC name of 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one (CID 140823499) is 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one?
The canonical SMILES for 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one is CCCOCCOCCOCCC(=O)C(C)C.
What is the InChIKey of 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one?
The InChIKey is LYONPHNEVWGUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-4-6-15-8-10-17-11-9-16-7-5-13(14)12(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one?
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one has a molecular weight of 246.35 g/mol, XLogP of 2.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one is sourced from PubChem (CID 140823499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).