ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one

C19H40O5 — CID 167591324

IUPACethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one
SMILESCC.CC.CCC(O)C(C)=O.CCC(O)CCC(=O)CCC(C)=O
InChIInChI=1S/C10H18O3.C5H10O2.2C2H6/c1-3-9(12)6-7-10(13)5-4-8(2)11;1-3-5(7)4(2)6;2*1-2/h9,12H,3-7H2,1-2H3;5,7H,3H2,1-2H3;2*1-2H3
InChIKeyILXZGGZXKFGXPV-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.87
Rot. Bonds9

About ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one

ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one (PubChem CID 167591324) has the molecular formula C19H40O5 and a molecular weight of 348.52 g/mol. Its IUPAC name is ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one.

Molecular Properties

Compound Nameethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one
PubChem CID167591324
Molecular FormulaC19H40O5
Molecular Weight348.52 g/mol
Exact Mass348.29
IUPAC Nameethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one
SMILESCC.CC.CCC(O)C(C)=O.CCC(O)CCC(=O)CCC(C)=O
InChIInChI=1S/C10H18O3.C5H10O2.2C2H6/c1-3-9(12)6-7-10(13)5-4-8(2)11;1-3-5(7)4(2)6;2*1-2/h9,12H,3-7H2,1-2H3;5,7H,3H2,1-2H3;2*1-2H3
InChIKeyILXZGGZXKFGXPV-UHFFFAOYSA-N
XLogP3.87
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxyoctan-3-one
CID 15920952
3-hydroxypentan-2-one;zinc
CID 174642767
3-hydroxyhenicosan-6-one
CID 161363871
11-hydroxytridecan-2-one
CID 11687152
3,5-dihydroxyheptan-2-one
CID 139533007
(4S)-4-hydroxyhexanoic acid
CID 14057564
5-hydroxyoctan-2-one
CID 54022064
6-hydroxy-2-methyloctan-3-one
CID 79429661
butan-2-one;pentan-3-ol
CID 159181592
4-bromo-3-hydroxybutan-2-one
CID 87260532
sodium;hydride;tetradecane-2,5,8,11-tetrone
CID 174954679
(3R)-3-hydroxytriacontan-11-one
CID 163074404

Frequently Asked Questions

What is the IUPAC name of ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one?
The IUPAC name of ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one (CID 167591324) is ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one.
What is the SMILES notation for ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one?
The canonical SMILES for ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one is CC.CC.CCC(O)C(C)=O.CCC(O)CCC(=O)CCC(C)=O.
What is the InChIKey of ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one?
The InChIKey is ILXZGGZXKFGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C5H10O2.2C2H6/c1-3-9(12)6-7-10(13)5-4-8(2)11;1-3-5(7)4(2)6;2*1-2/h9,12H,3-7H2,1-2H3;5,7H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one?
ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one has a molecular weight of 348.52 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-hydroxydecane-2,5-dione;3-hydroxypentan-2-one is sourced from PubChem (CID 167591324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).