2,2,14,14-tetramethylpentadecane-4,12-dione

C19H36O2 — CID 158540576

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

About 2,2,14,14-tetramethylpentadecane-4,12-dione

2,2,14,14-tetramethylpentadecane-4,12-dione (PubChem CID 158540576) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,2,14,14-tetramethylpentadecane-4,12-dione.

Molecular Properties

Compound Name2,2,14,14-tetramethylpentadecane-4,12-dione
PubChem CID158540576
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name2,2,14,14-tetramethylpentadecane-4,12-dione
SMILESCC(C)(C)CC(=O)CCCCCCCC(=O)CC(C)(C)C
InChIInChI=1S/C19H36O2/c1-18(2,3)14-16(20)12-10-8-7-9-11-13-17(21)15-19(4,5)6/h7-15H2,1-6H3
InChIKeyPHSHHIXRKFNLEZ-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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Frequently Asked Questions

What is the IUPAC name of 2,2,14,14-tetramethylpentadecane-4,12-dione?
The IUPAC name of 2,2,14,14-tetramethylpentadecane-4,12-dione (CID 158540576) is 2,2,14,14-tetramethylpentadecane-4,12-dione.
What is the SMILES notation for 2,2,14,14-tetramethylpentadecane-4,12-dione?
The canonical SMILES for 2,2,14,14-tetramethylpentadecane-4,12-dione is CC(C)(C)CC(=O)CCCCCCCC(=O)CC(C)(C)C.
What is the InChIKey of 2,2,14,14-tetramethylpentadecane-4,12-dione?
The InChIKey is PHSHHIXRKFNLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-18(2,3)14-16(20)12-10-8-7-9-11-13-17(21)15-19(4,5)6/h7-15H2,1-6H3.
What are the key properties of 2,2,14,14-tetramethylpentadecane-4,12-dione?
2,2,14,14-tetramethylpentadecane-4,12-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-4,12-dione is sourced from PubChem (CID 158540576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).