3-ethylcyclononan-1-one

C11H20O — CID 70178778

IUPAC3-ethylcyclononan-1-one
SMILESCCC1CCCCCCC(=O)C1
InChIInChI=1S/C11H20O/c1-2-10-7-5-3-4-6-8-11(12)9-10/h10H,2-9H2,1H3
InChIKeyMVFXJEXBZVIEEC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds1

About 3-ethylcyclononan-1-one

3-ethylcyclononan-1-one (PubChem CID 70178778) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethylcyclononan-1-one.

Molecular Properties

Compound Name3-ethylcyclononan-1-one
PubChem CID70178778
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-ethylcyclononan-1-one
SMILESCCC1CCCCCCC(=O)C1
InChIInChI=1S/C11H20O/c1-2-10-7-5-3-4-6-8-11(12)9-10/h10H,2-9H2,1H3
InChIKeyMVFXJEXBZVIEEC-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethylcyclodecan-1-one
CID 18176981
cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
CID 158392775
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
3-(3-ethylcyclohexyl)cycloheptan-1-one
CID 64505271
3-(iodomethyl)cycloheptan-1-one
CID 12564069
3-ethylcyclopentadec-5-en-1-one
CID 172791519
4-ethylcycloheptan-1-one
CID 15698158
7-ethyl-oxacycloheptadecane-2,17-dione
CID 151850633
3-prop-2-ynylcycloheptan-1-one
CID 14713480
3-prop-2-enylcycloheptan-1-one
CID 11378603
3-(propan-2-yloxymethyl)cycloheptan-1-one
CID 79568765
3-methylcyclooctan-1-one
CID 12892221

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclononan-1-one?
The IUPAC name of 3-ethylcyclononan-1-one (CID 70178778) is 3-ethylcyclononan-1-one.
What is the SMILES notation for 3-ethylcyclononan-1-one?
The canonical SMILES for 3-ethylcyclononan-1-one is CCC1CCCCCCC(=O)C1.
What is the InChIKey of 3-ethylcyclononan-1-one?
The InChIKey is MVFXJEXBZVIEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-10-7-5-3-4-6-8-11(12)9-10/h10H,2-9H2,1H3.
What are the key properties of 3-ethylcyclononan-1-one?
3-ethylcyclononan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclononan-1-one is sourced from PubChem (CID 70178778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).