2,2-dimethyldodecane-5,8-dione

C14H26O2 — CID 13333855

IUPAC2,2-dimethyldodecane-5,8-dione
SMILESCCCCC(=O)CCC(=O)CCC(C)(C)C
InChIInChI=1S/C14H26O2/c1-5-6-7-12(15)8-9-13(16)10-11-14(2,3)4/h5-11H2,1-4H3
InChIKeyNFBJVQPKWNGAMV-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.92
Rot. Bonds8

About 2,2-dimethyldodecane-5,8-dione

2,2-dimethyldodecane-5,8-dione (PubChem CID 13333855) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2-dimethyldodecane-5,8-dione.

Molecular Properties

Compound Name2,2-dimethyldodecane-5,8-dione
PubChem CID13333855
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,2-dimethyldodecane-5,8-dione
SMILESCCCCC(=O)CCC(=O)CCC(C)(C)C
InChIInChI=1S/C14H26O2/c1-5-6-7-12(15)8-9-13(16)10-11-14(2,3)4/h5-11H2,1-4H3
InChIKeyNFBJVQPKWNGAMV-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyldodecan-5-one
CID 114970047
2,2-dimethyltridecane-5,7-dione
CID 139254512
1-(decyldisulfanyl)-7,7-dimethyloctan-4-one
CID 164989398
8,8-dimethylnonan-4-one
CID 61481441
1,1,1-trifluorooctan-4-one
CID 79404361
10-amino-8,8-dimethyldecan-5-one
CID 116574751
2,2,14,14-tetramethylpentadecane-3,11-dione
CID 162694763
7-hydroxy-7-methylundecan-5-one
CID 121007959
4,7-dioxoundecanoic acid
CID 165359282
methanol;octan-4-one
CID 174820687
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldodecane-5,8-dione?
The IUPAC name of 2,2-dimethyldodecane-5,8-dione (CID 13333855) is 2,2-dimethyldodecane-5,8-dione.
What is the SMILES notation for 2,2-dimethyldodecane-5,8-dione?
The canonical SMILES for 2,2-dimethyldodecane-5,8-dione is CCCCC(=O)CCC(=O)CCC(C)(C)C.
What is the InChIKey of 2,2-dimethyldodecane-5,8-dione?
The InChIKey is NFBJVQPKWNGAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-6-7-12(15)8-9-13(16)10-11-14(2,3)4/h5-11H2,1-4H3.
What are the key properties of 2,2-dimethyldodecane-5,8-dione?
2,2-dimethyldodecane-5,8-dione has a molecular weight of 226.36 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldodecane-5,8-dione is sourced from PubChem (CID 13333855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).