1-(4-propoxyoxan-4-yl)propan-1-one

C11H20O3 — CID 83226055

IUPAC1-(4-propoxyoxan-4-yl)propan-1-one
SMILESCCCOC1(C(=O)CC)CCOCC1
InChIInChI=1S/C11H20O3/c1-3-7-14-11(10(12)4-2)5-8-13-9-6-11/h3-9H2,1-2H3
InChIKeyVBHUBRWXENOHRX-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-propoxyoxan-4-yl)propan-1-one

1-(4-propoxyoxan-4-yl)propan-1-one (PubChem CID 83226055) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(4-propoxyoxan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-propoxyoxan-4-yl)propan-1-one
PubChem CID83226055
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(4-propoxyoxan-4-yl)propan-1-one
SMILESCCCOC1(C(=O)CC)CCOCC1
InChIInChI=1S/C11H20O3/c1-3-7-14-11(10(12)4-2)5-8-13-9-6-11/h3-9H2,1-2H3
InChIKeyVBHUBRWXENOHRX-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-propoxyoxan-4-yl)propan-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

4-ethoxyoxane-4-carboxylic acid
CID 78969464
1-(4-methoxyoxan-4-yl)-2-propoxyethanone
CID 116748657
1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
CID 83226738
1-(4-ethoxyoxan-4-yl)-4-methoxybutan-1-one
CID 114854416
1-(1-propoxycyclobutyl)ethanone
CID 83224918
dipropyl oxane-4,4-dicarboxylate
CID 69415052
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
1-(4-acetyloxan-4-yl)propan-1-one
CID 58816646
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
(4-propoxyoxan-4-yl)methanamine
CID 65051760
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyoxan-4-yl)propan-1-one?
The IUPAC name of 1-(4-propoxyoxan-4-yl)propan-1-one (CID 83226055) is 1-(4-propoxyoxan-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-propoxyoxan-4-yl)propan-1-one?
The canonical SMILES for 1-(4-propoxyoxan-4-yl)propan-1-one is CCCOC1(C(=O)CC)CCOCC1.
What is the InChIKey of 1-(4-propoxyoxan-4-yl)propan-1-one?
The InChIKey is VBHUBRWXENOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-7-14-11(10(12)4-2)5-8-13-9-6-11/h3-9H2,1-2H3.
What are the key properties of 1-(4-propoxyoxan-4-yl)propan-1-one?
1-(4-propoxyoxan-4-yl)propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyoxan-4-yl)propan-1-one is sourced from PubChem (CID 83226055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).