3-(2-propoxyethoxy)cyclohexan-1-one

C11H20O3 — CID 79618382

IUPAC3-(2-propoxyethoxy)cyclohexan-1-one
SMILESCCCOCCOC1CCCC(=O)C1
InChIInChI=1S/C11H20O3/c1-2-6-13-7-8-14-11-5-3-4-10(12)9-11/h11H,2-9H2,1H3
InChIKeyRIOAYGWCDFXDJR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.94
Rot. Bonds6

About 3-(2-propoxyethoxy)cyclohexan-1-one

3-(2-propoxyethoxy)cyclohexan-1-one (PubChem CID 79618382) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2-propoxyethoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-propoxyethoxy)cyclohexan-1-one
PubChem CID79618382
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-(2-propoxyethoxy)cyclohexan-1-one
SMILESCCCOCCOC1CCCC(=O)C1
InChIInChI=1S/C11H20O3/c1-2-6-13-7-8-14-11-5-3-4-10(12)9-11/h11H,2-9H2,1H3
InChIKeyRIOAYGWCDFXDJR-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze 3-(2-propoxyethoxy)cyclohexan-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

3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
CID 104563937
3-(3-methylbut-3-enoxy)cyclohexan-1-one
CID 114470359
3-(2-phenoxyethoxy)cyclohexan-1-one
CID 79619233
3-prop-2-enoxycyclohexan-1-one
CID 10487074
3-ethoxycyclopentan-1-one
CID 15050470
2-butoxyethoxycyclobutane
CID 150038799
3-(2-propoxyethoxy)cyclohexan-1-amine
CID 79618913
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
CID 118647955
3-(3-propoxypiperidin-1-yl)cyclopentan-1-one
CID 79642918
3-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexan-1-one
CID 79617822
4-(2-propoxyethoxy)cyclohexan-1-amine
CID 63684379
3-(oxan-2-ylmethoxy)cyclohexan-1-one
CID 79618470

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethoxy)cyclohexan-1-one?
The IUPAC name of 3-(2-propoxyethoxy)cyclohexan-1-one (CID 79618382) is 3-(2-propoxyethoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(2-propoxyethoxy)cyclohexan-1-one?
The canonical SMILES for 3-(2-propoxyethoxy)cyclohexan-1-one is CCCOCCOC1CCCC(=O)C1.
What is the InChIKey of 3-(2-propoxyethoxy)cyclohexan-1-one?
The InChIKey is RIOAYGWCDFXDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-6-13-7-8-14-11-5-3-4-10(12)9-11/h11H,2-9H2,1H3.
What are the key properties of 3-(2-propoxyethoxy)cyclohexan-1-one?
3-(2-propoxyethoxy)cyclohexan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethoxy)cyclohexan-1-one is sourced from PubChem (CID 79618382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).