7-ethyl-6,8-dihydroxyundecane-2,4-dione

C13H24O4 — CID 57154392

IUPAC7-ethyl-6,8-dihydroxyundecane-2,4-dione
SMILESCCCC(O)C(CC)C(O)CC(=O)CC(C)=O
InChIInChI=1S/C13H24O4/c1-4-6-12(16)11(5-2)13(17)8-10(15)7-9(3)14/h11-13,16-17H,4-8H2,1-3H3
InChIKeyZYQDGRDXZKVNBW-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.47
Rot. Bonds9

About 7-ethyl-6,8-dihydroxyundecane-2,4-dione

7-ethyl-6,8-dihydroxyundecane-2,4-dione (PubChem CID 57154392) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 7-ethyl-6,8-dihydroxyundecane-2,4-dione.

Molecular Properties

Compound Name7-ethyl-6,8-dihydroxyundecane-2,4-dione
PubChem CID57154392
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name7-ethyl-6,8-dihydroxyundecane-2,4-dione
SMILESCCCC(O)C(CC)C(O)CC(=O)CC(C)=O
InChIInChI=1S/C13H24O4/c1-4-6-12(16)11(5-2)13(17)8-10(15)7-9(3)14/h11-13,16-17H,4-8H2,1-3H3
InChIKeyZYQDGRDXZKVNBW-UHFFFAOYSA-N
XLogP1.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-methylnonane-2,4-dione
CID 98210989
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
2-amino-3-ethylheptan-4-ol
CID 146264910
heptane-2,4-dione;palladium(2+)
CID 21417766
benzoic acid;4-ethyloctane-3,5-diol;4-propyloctane-3,5-diol
CID 174482962
(3R,4S)-4-hydroxy-3-methylheptan-2-one
CID 13172578
(4S)-4-ethylheptan-2-one
CID 87332428
6-hydroxy-5-methylnonan-2-one
CID 58027509
(4R,6R)-4,6-dihydroxyoctan-2-one;(6R)-6-hydroxyoctane-2,4-dione;propan-2-ol;propan-2-one
CID 159670447
6,7-diethyldodecane-5,8-diol
CID 166728697
5-propan-2-yloctan-4-ol
CID 23385171

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6,8-dihydroxyundecane-2,4-dione?
The IUPAC name of 7-ethyl-6,8-dihydroxyundecane-2,4-dione (CID 57154392) is 7-ethyl-6,8-dihydroxyundecane-2,4-dione.
What is the SMILES notation for 7-ethyl-6,8-dihydroxyundecane-2,4-dione?
The canonical SMILES for 7-ethyl-6,8-dihydroxyundecane-2,4-dione is CCCC(O)C(CC)C(O)CC(=O)CC(C)=O.
What is the InChIKey of 7-ethyl-6,8-dihydroxyundecane-2,4-dione?
The InChIKey is ZYQDGRDXZKVNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-6-12(16)11(5-2)13(17)8-10(15)7-9(3)14/h11-13,16-17H,4-8H2,1-3H3.
What are the key properties of 7-ethyl-6,8-dihydroxyundecane-2,4-dione?
7-ethyl-6,8-dihydroxyundecane-2,4-dione has a molecular weight of 244.33 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6,8-dihydroxyundecane-2,4-dione is sourced from PubChem (CID 57154392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).