1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one

C13H24O3 — CID 107896407

IUPAC1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(OCC)CCOCC1
InChIInChI=1S/C13H24O3/c1-4-6-11(3)12(14)13(16-5-2)7-9-15-10-8-13/h11H,4-10H2,1-3H3
InChIKeyMPUNMCUFRIHWMU-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one

1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one (PubChem CID 107896407) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
PubChem CID107896407
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(OCC)CCOCC1
InChIInChI=1S/C13H24O3/c1-4-6-11(3)12(14)13(16-5-2)7-9-15-10-8-13/h11H,4-10H2,1-3H3
InChIKeyMPUNMCUFRIHWMU-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-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

1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
4-ethoxyoxane-4-carboxylic acid
CID 78969464
1-(1-methoxycycloheptyl)-2-methylpentan-1-one
CID 107896414
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
1-(4-ethoxyoxan-4-yl)-3-methylbut-2-en-1-one
CID 116748886
ethyl 2,2-bis(4-methyloxan-4-yl)acetate
CID 175344737
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
1-(1-ethoxy-3-methylcyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116749940
1-(4-propoxyoxan-4-yl)propan-1-one
CID 83226055
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one (CID 107896407) is 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one is CCCC(C)C(=O)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one?
The InChIKey is MPUNMCUFRIHWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-11(3)12(14)13(16-5-2)7-9-15-10-8-13/h11H,4-10H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one?
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one has a molecular weight of 228.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one is sourced from PubChem (CID 107896407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).