4,4-dimethylcyclononan-1-one

C11H20O — CID 123139927

IUPAC4,4-dimethylcyclononan-1-one
SMILESCC1(C)CCCCCC(=O)CC1
InChIInChI=1S/C11H20O/c1-11(2)8-5-3-4-6-10(12)7-9-11/h3-9H2,1-2H3
InChIKeyIMBRJRZNZQUGMY-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds

About 4,4-dimethylcyclononan-1-one

4,4-dimethylcyclononan-1-one (PubChem CID 123139927) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,4-dimethylcyclononan-1-one.

Molecular Properties

Compound Name4,4-dimethylcyclononan-1-one
PubChem CID123139927
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,4-dimethylcyclononan-1-one
SMILESCC1(C)CCCCCC(=O)CC1
InChIInChI=1S/C11H20O/c1-11(2)8-5-3-4-6-10(12)7-9-11/h3-9H2,1-2H3
InChIKeyIMBRJRZNZQUGMY-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
3,3-dimethylcycloheptan-1-one
CID 12702041
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
azane;cyclohexanone;ethane
CID 174919946
azane;cyclononanone
CID 172719607
azane;1,1-dimethylcyclohexane
CID 90411117
1,1-dimethylcyclohexane;methane
CID 160770296
cyclohexane;cyclohexanone;sulfane
CID 175236228

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylcyclononan-1-one?
The IUPAC name of 4,4-dimethylcyclononan-1-one (CID 123139927) is 4,4-dimethylcyclononan-1-one.
What is the SMILES notation for 4,4-dimethylcyclononan-1-one?
The canonical SMILES for 4,4-dimethylcyclononan-1-one is CC1(C)CCCCCC(=O)CC1.
What is the InChIKey of 4,4-dimethylcyclononan-1-one?
The InChIKey is IMBRJRZNZQUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2)8-5-3-4-6-10(12)7-9-11/h3-9H2,1-2H3.
What are the key properties of 4,4-dimethylcyclononan-1-one?
4,4-dimethylcyclononan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylcyclononan-1-one is sourced from PubChem (CID 123139927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).