5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one

C19H34O6 — CID 158583013

IUPAC5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one
SMILESCCC1C(C)OC(=O)C(C)C1O.CCC1OC(=O)C(C)C(O)C1CC
InChIInChI=1S/C10H18O3.C9H16O3/c1-4-7-8(5-2)13-10(12)6(3)9(7)11;1-4-7-6(3)12-9(11)5(2)8(7)10/h6-9,11H,4-5H2,1-3H3;5-8,10H,4H2,1-3H3
InChIKeyHTMDKVBYAYVMPO-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.30
Rot. Bonds3

About 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one

5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one (PubChem CID 158583013) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one.

Molecular Properties

Compound Name5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one
PubChem CID158583013
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one
SMILESCCC1C(C)OC(=O)C(C)C1O.CCC1OC(=O)C(C)C(O)C1CC
InChIInChI=1S/C10H18O3.C9H16O3/c1-4-7-8(5-2)13-10(12)6(3)9(7)11;1-4-7-6(3)12-9(11)5(2)8(7)10/h6-9,11H,4-5H2,1-3H3;5-8,10H,4H2,1-3H3
InChIKeyHTMDKVBYAYVMPO-UHFFFAOYSA-N
XLogP2.30
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one with MolForge

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Related Compounds

(4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 59511089
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
(2S,3R,4S)-2-ethyl-4-methyl-5-oxooxolane-3-carboxylic acid
CID 102013083
(3S,4R,5R)-4-ethyl-5-(iodomethyl)-3-methyloxolan-2-one
CID 10849462
(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
CID 58594793
6-ethyl-3,4,5-trihydroxyoxan-2-one
CID 123675946
(3S,4R,5S,6R)-5-ethyl-4,6-dihydroxy-3-methyloxepan-2-one
CID 57128049
(3R,4S,5S,7R,9Z,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
CID 6441955
(3S,9R,10S,11R,12R)-12-ethyl-4,10-dihydroxy-3,5,9,11-tetramethyl-oxacyclododecane-2,8-dione
CID 59895546
(8S,9R,10S,11S)-4-ethyl-8,10-dihydroxy-3,7,11-trimethyl-5-oxabicyclo[7.3.1]tridecane-2,6-dione
CID 70887250
(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
4-butyl-3-methyloxetan-2-one
CID 173294472

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one?
The IUPAC name of 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one (CID 158583013) is 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one.
What is the SMILES notation for 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one?
The canonical SMILES for 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one is CCC1C(C)OC(=O)C(C)C1O.CCC1OC(=O)C(C)C(O)C1CC.
What is the InChIKey of 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one?
The InChIKey is HTMDKVBYAYVMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C9H16O3/c1-4-7-8(5-2)13-10(12)6(3)9(7)11;1-4-7-6(3)12-9(11)5(2)8(7)10/h6-9,11H,4-5H2,1-3H3;5-8,10H,4H2,1-3H3.
What are the key properties of 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one?
5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one has a molecular weight of 358.48 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one is sourced from PubChem (CID 158583013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).