5,11-diethyl-8,8-dimethylpentadecane-6,10-dione

C21H40O2 — CID 19870279

IUPAC5,11-diethyl-8,8-dimethylpentadecane-6,10-dione
SMILESCCCCC(CC)C(=O)CC(C)(C)CC(=O)C(CC)CCCC
InChIInChI=1S/C21H40O2/c1-7-11-13-17(9-3)19(22)15-21(5,6)16-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3
InChIKeyPBRRXRSLWSSNAW-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.36
Rot. Bonds14

About 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione

5,11-diethyl-8,8-dimethylpentadecane-6,10-dione (PubChem CID 19870279) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione.

Molecular Properties

Compound Name5,11-diethyl-8,8-dimethylpentadecane-6,10-dione
PubChem CID19870279
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name5,11-diethyl-8,8-dimethylpentadecane-6,10-dione
SMILESCCCCC(CC)C(=O)CC(C)(C)CC(=O)C(CC)CCCC
InChIInChI=1S/C21H40O2/c1-7-11-13-17(9-3)19(22)15-21(5,6)16-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3
InChIKeyPBRRXRSLWSSNAW-UHFFFAOYSA-N
XLogP6.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
5-ethylpentadecan-6-one
CID 114966402
CID 21474875
CID 21474875
(4S)-4-ethyldecan-3-one
CID 134895926
2-ethylhexanoic acid;hexadecane
CID 174408772
6-ethyl-2-methyldecane-3,5-dione
CID 158922502
3,5-diethylnonan-4-one
CID 115785527
5-ethylundecan-4-one
CID 11687075
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722

Frequently Asked Questions

What is the IUPAC name of 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione?
The IUPAC name of 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione (CID 19870279) is 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione.
What is the SMILES notation for 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione?
The canonical SMILES for 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione is CCCCC(CC)C(=O)CC(C)(C)CC(=O)C(CC)CCCC.
What is the InChIKey of 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione?
The InChIKey is PBRRXRSLWSSNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2/c1-7-11-13-17(9-3)19(22)15-21(5,6)16-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3.
What are the key properties of 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione?
5,11-diethyl-8,8-dimethylpentadecane-6,10-dione has a molecular weight of 324.55 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diethyl-8,8-dimethylpentadecane-6,10-dione is sourced from PubChem (CID 19870279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).