2,2,14,14-tetramethylpentadecane-3,11-dione

C19H36O2 — CID 162694763

IUPAC2,2,14,14-tetramethylpentadecane-3,11-dione
SMILESCC(C)(C)CCC(=O)CCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C19H36O2/c1-18(2,3)15-14-16(20)12-10-8-7-9-11-13-17(21)19(4,5)6/h7-15H2,1-6H3
InChIKeyLGKQVRPUJDNPLP-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.73
Rot. Bonds10

About 2,2,14,14-tetramethylpentadecane-3,11-dione

2,2,14,14-tetramethylpentadecane-3,11-dione (PubChem CID 162694763) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,2,14,14-tetramethylpentadecane-3,11-dione.

Molecular Properties

Compound Name2,2,14,14-tetramethylpentadecane-3,11-dione
PubChem CID162694763
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name2,2,14,14-tetramethylpentadecane-3,11-dione
SMILESCC(C)(C)CCC(=O)CCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C19H36O2/c1-18(2,3)15-14-16(20)12-10-8-7-9-11-13-17(21)19(4,5)6/h7-15H2,1-6H3
InChIKeyLGKQVRPUJDNPLP-UHFFFAOYSA-N
XLogP5.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.73
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

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CID 114970047
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2,2-dimethyldodecane-5,8-dione
CID 13333855
2,2-dimethyltridecane-5,7-dione
CID 139254512
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
2,13,13-trimethyl-6,12-dioxotetradecanal
CID 57233861
11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
CID 158079491
1-(decyldisulfanyl)-7,7-dimethyloctan-4-one
CID 164989398
9-amino-2,2-dimethyldecan-5-one
CID 116610021
3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
CID 164953894
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
8,8-dimethylnonan-4-one
CID 61481441

Frequently Asked Questions

What is the IUPAC name of 2,2,14,14-tetramethylpentadecane-3,11-dione?
The IUPAC name of 2,2,14,14-tetramethylpentadecane-3,11-dione (CID 162694763) is 2,2,14,14-tetramethylpentadecane-3,11-dione.
What is the SMILES notation for 2,2,14,14-tetramethylpentadecane-3,11-dione?
The canonical SMILES for 2,2,14,14-tetramethylpentadecane-3,11-dione is CC(C)(C)CCC(=O)CCCCCCCC(=O)C(C)(C)C.
What is the InChIKey of 2,2,14,14-tetramethylpentadecane-3,11-dione?
The InChIKey is LGKQVRPUJDNPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-18(2,3)15-14-16(20)12-10-8-7-9-11-13-17(21)19(4,5)6/h7-15H2,1-6H3.
What are the key properties of 2,2,14,14-tetramethylpentadecane-3,11-dione?
2,2,14,14-tetramethylpentadecane-3,11-dione has a molecular weight of 296.50 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,14,14-tetramethylpentadecane-3,11-dione is sourced from PubChem (CID 162694763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).