2,2,9,9-tetramethyldecane-3,8-dione

C14H26O2 — CID 546352

IUPAC2,2,9,9-tetramethyldecane-3,8-dione
SMILESCC(C)(C)C(=O)CCCCC(=O)C(C)(C)C
InChIInChI=1S/C14H26O2/c1-13(2,3)11(15)9-7-8-10-12(16)14(4,5)6/h7-10H2,1-6H3
InChIKeyWQWLTXSXTAAZEJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.78
Rot. Bonds5

About 2,2,9,9-tetramethyldecane-3,8-dione

2,2,9,9-tetramethyldecane-3,8-dione (PubChem CID 546352) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2,9,9-tetramethyldecane-3,8-dione.

Molecular Properties

Compound Name2,2,9,9-tetramethyldecane-3,8-dione
PubChem CID546352
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,2,9,9-tetramethyldecane-3,8-dione
SMILESCC(C)(C)C(=O)CCCCC(=O)C(C)(C)C
InChIInChI=1S/C14H26O2/c1-13(2,3)11(15)9-7-8-10-12(16)14(4,5)6/h7-10H2,1-6H3
InChIKeyWQWLTXSXTAAZEJ-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-Tetramethyl-3,5-heptanedione
CID 70700
3-Methyl-2,4-nonanedione
CID 529481
6,10-Dimethylundecan-2-one
CID 95495
2,2,5-Trimethyl-5-pentylcyclopentanone
CID 103402
Ketone
CID 110392
2-Methyl-4-undecanone
CID 246924
3-Methylcyclotridecanone
CID 3017257
3-Methyl-2-octanone
CID 22511
7-Methyloctan-3-one
CID 222421
2-Methyl-3-undecanone
CID 228271
2-Methyldecan-3-one
CID 79588
7-Ethyl-2-methyl-4-undecanone
CID 228015

Frequently Asked Questions

What is the IUPAC name of 2,2,9,9-tetramethyldecane-3,8-dione?
The IUPAC name of 2,2,9,9-tetramethyldecane-3,8-dione (CID 546352) is 2,2,9,9-tetramethyldecane-3,8-dione.
What is the SMILES notation for 2,2,9,9-tetramethyldecane-3,8-dione?
The canonical SMILES for 2,2,9,9-tetramethyldecane-3,8-dione is CC(C)(C)C(=O)CCCCC(=O)C(C)(C)C.
What is the InChIKey of 2,2,9,9-tetramethyldecane-3,8-dione?
The InChIKey is WQWLTXSXTAAZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2,3)11(15)9-7-8-10-12(16)14(4,5)6/h7-10H2,1-6H3.
What are the key properties of 2,2,9,9-tetramethyldecane-3,8-dione?
2,2,9,9-tetramethyldecane-3,8-dione has a molecular weight of 226.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9,9-tetramethyldecane-3,8-dione is sourced from PubChem (CID 546352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).