7-methyldecane-2,6-dione

C11H20O2 — CID 14545114

IUPAC7-methyldecane-2,6-dione
SMILESCCCC(C)C(=O)CCCC(C)=O
InChIInChI=1S/C11H20O2/c1-4-6-9(2)11(13)8-5-7-10(3)12/h9H,4-8H2,1-3H3
InChIKeyRYIWBPJVEYUYMC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.75
Rot. Bonds7

About 7-methyldecane-2,6-dione

7-methyldecane-2,6-dione (PubChem CID 14545114) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-methyldecane-2,6-dione.

Molecular Properties

Compound Name7-methyldecane-2,6-dione
PubChem CID14545114
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7-methyldecane-2,6-dione
SMILESCCCC(C)C(=O)CCCC(C)=O
InChIInChI=1S/C11H20O2/c1-4-6-9(2)11(13)8-5-7-10(3)12/h9H,4-8H2,1-3H3
InChIKeyRYIWBPJVEYUYMC-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
5-methyltridecane-2,6-dione
CID 13130352
9-methylundecane-2,8-dione
CID 178033213
1-hydroxy-4-methylheptan-3-one
CID 87401678
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
7-methyldecan-2-one
CID 54155197
(4R)-4-methylheptan-3-one
CID 12696684
8-methylundecan-2-one
CID 19847213
3-methyloctane-2,7-dione
CID 13063377
2,5-dimethyloctan-4-one
CID 88817499
5-hydroxyoctan-2-one
CID 54022064
14-methylpentadecane-2,13-dione
CID 88544438

Frequently Asked Questions

What is the IUPAC name of 7-methyldecane-2,6-dione?
The IUPAC name of 7-methyldecane-2,6-dione (CID 14545114) is 7-methyldecane-2,6-dione.
What is the SMILES notation for 7-methyldecane-2,6-dione?
The canonical SMILES for 7-methyldecane-2,6-dione is CCCC(C)C(=O)CCCC(C)=O.
What is the InChIKey of 7-methyldecane-2,6-dione?
The InChIKey is RYIWBPJVEYUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-9(2)11(13)8-5-7-10(3)12/h9H,4-8H2,1-3H3.
What are the key properties of 7-methyldecane-2,6-dione?
7-methyldecane-2,6-dione has a molecular weight of 184.28 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldecane-2,6-dione is sourced from PubChem (CID 14545114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).