(3R,6R)-3,6-diethyloxan-2-one

C9H16O2 — CID 129383113

IUPAC(3R,6R)-3,6-diethyloxan-2-one
SMILESCC[C@@H]1CC[C@@H](CC)C(=O)O1
InChIInChI=1S/C9H16O2/c1-3-7-5-6-8(4-2)11-9(7)10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDIZRUCSLFRGRMR-HTQZYQBOSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds2

About (3R,6R)-3,6-diethyloxan-2-one

(3R,6R)-3,6-diethyloxan-2-one (PubChem CID 129383113) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3R,6R)-3,6-diethyloxan-2-one.

Molecular Properties

Compound Name(3R,6R)-3,6-diethyloxan-2-one
PubChem CID129383113
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3R,6R)-3,6-diethyloxan-2-one
SMILESCC[C@@H]1CC[C@@H](CC)C(=O)O1
InChIInChI=1S/C9H16O2/c1-3-7-5-6-8(4-2)11-9(7)10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDIZRUCSLFRGRMR-HTQZYQBOSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5-(2-methoxyethyl)oxolan-2-one
CID 91406082
(4R)-4-ethyloxetan-2-one
CID 14325240
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
3-ethyloxepan-2-one
CID 22116783
3-(2,2-diphenylethyl)-5-ethyloxolan-2-one
CID 150618928
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
(3S,5R)-5-ethyl-2-oxooxolane-3-carbaldehyde
CID 45083464
ethylcyclopropane;5-ethyloxolan-2-one;methane
CID 158681141
acetonitrile;5-ethyloxolan-2-one
CID 174800937
5-ethyl-2-oxooxolane-3-carbonitrile
CID 13130972
6-(bromomethyl)-3-methyloxan-2-one
CID 154701913

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,6-diethyloxan-2-one?
The IUPAC name of (3R,6R)-3,6-diethyloxan-2-one (CID 129383113) is (3R,6R)-3,6-diethyloxan-2-one.
What is the SMILES notation for (3R,6R)-3,6-diethyloxan-2-one?
The canonical SMILES for (3R,6R)-3,6-diethyloxan-2-one is CC[C@@H]1CC[C@@H](CC)C(=O)O1.
What is the InChIKey of (3R,6R)-3,6-diethyloxan-2-one?
The InChIKey is DIZRUCSLFRGRMR-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-7-5-6-8(4-2)11-9(7)10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,6R)-3,6-diethyloxan-2-one?
(3R,6R)-3,6-diethyloxan-2-one has a molecular weight of 156.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,6-diethyloxan-2-one is sourced from PubChem (CID 129383113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).