4-ethoxy-2,2-dimethylpentan-3-one

C9H18O2 — CID 64540696

IUPAC4-ethoxy-2,2-dimethylpentan-3-one
SMILESCCOC(C)C(=O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-6-11-7(2)8(10)9(3,4)5/h7H,6H2,1-5H3
InChIKeyZPEMONBUIFJUPK-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.03
Rot. Bonds3

About 4-ethoxy-2,2-dimethylpentan-3-one

4-ethoxy-2,2-dimethylpentan-3-one (PubChem CID 64540696) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-ethoxy-2,2-dimethylpentan-3-one.

Molecular Properties

Compound Name4-ethoxy-2,2-dimethylpentan-3-one
PubChem CID64540696
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-ethoxy-2,2-dimethylpentan-3-one
SMILESCCOC(C)C(=O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-6-11-7(2)8(10)9(3,4)5/h7H,6H2,1-5H3
InChIKeyZPEMONBUIFJUPK-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethoxy-2,2-dimethylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(4,4-dimethyl-3-oxopentan-2-yl)oxy-2,2-dimethylpropanoate
CID 131991132
2-ethoxypropanoic acid;methane
CID 160636954
2-ethoxy-6,6-dimethylheptan-3-one
CID 64539235
sodium 2-ethoxypropanoate
CID 141029681
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
amino 2-ethoxypropanoate
CID 87914402
diethyl 2-(2-ethoxypropanoyl)propanedioate
CID 64532812
CID 21266963
CID 21266963
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697
1,1-diethoxy-4,4-dimethylpentan-3-one
CID 13112448
heptyl 2-ethoxypropanoate
CID 175702782

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,2-dimethylpentan-3-one?
The IUPAC name of 4-ethoxy-2,2-dimethylpentan-3-one (CID 64540696) is 4-ethoxy-2,2-dimethylpentan-3-one.
What is the SMILES notation for 4-ethoxy-2,2-dimethylpentan-3-one?
The canonical SMILES for 4-ethoxy-2,2-dimethylpentan-3-one is CCOC(C)C(=O)C(C)(C)C.
What is the InChIKey of 4-ethoxy-2,2-dimethylpentan-3-one?
The InChIKey is ZPEMONBUIFJUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-11-7(2)8(10)9(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 4-ethoxy-2,2-dimethylpentan-3-one?
4-ethoxy-2,2-dimethylpentan-3-one has a molecular weight of 158.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,2-dimethylpentan-3-one is sourced from PubChem (CID 64540696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).