2,2-dimethyldodecane-3,5-dione

C14H26O2 — CID 43139047

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

About 2,2-dimethyldodecane-3,5-dione

2,2-dimethyldodecane-3,5-dione (PubChem CID 43139047) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2-dimethyldodecane-3,5-dione.

Molecular Properties

Compound Name2,2-dimethyldodecane-3,5-dione
PubChem CID43139047
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,2-dimethyldodecane-3,5-dione
SMILESCCCCCCCC(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C14H26O2/c1-5-6-7-8-9-10-12(15)11-13(16)14(2,3)4/h5-11H2,1-4H3
InChIKeyYRZOEXZWDYKIQI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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
2-Methyl-4-undecanone
CID 246924
2-Methyl-3-undecanone
CID 228271
2-Methyldecan-3-one
CID 79588
2,2,4,6,6-Pentamethyl-3,5-heptanedione
CID 231586
1-(1-Methylcyclohexyl)ethan-1-one
CID 544198
3,5-Octanedione, 2,2,7-trimethyl-
CID 112295
2-Methylnonan-3-one
CID 79518
6,6-Dimethyl-2,5,10-undecanetrione
CID 39675
3,3-Dimethyloctane-2,7-dione
CID 71370288
2,2,7,7-Tetramethyl-octane-3,6-dione
CID 10821825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldodecane-3,5-dione?
The IUPAC name of 2,2-dimethyldodecane-3,5-dione (CID 43139047) is 2,2-dimethyldodecane-3,5-dione.
What is the SMILES notation for 2,2-dimethyldodecane-3,5-dione?
The canonical SMILES for 2,2-dimethyldodecane-3,5-dione is CCCCCCCC(=O)CC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyldodecane-3,5-dione?
The InChIKey is YRZOEXZWDYKIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-6-7-8-9-10-12(15)11-13(16)14(2,3)4/h5-11H2,1-4H3.
What are the key properties of 2,2-dimethyldodecane-3,5-dione?
2,2-dimethyldodecane-3,5-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-3,5-dione is sourced from PubChem (CID 43139047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).