(4S,6R)-6-ethyl-4-methyloxan-2-one

C8H14O2 — CID 90453462

IUPAC(4S,6R)-6-ethyl-4-methyloxan-2-one
SMILESCC[C@@H]1C[C@H](C)CC(=O)O1
InChIInChI=1S/C8H14O2/c1-3-7-4-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyASTJCHQBNYTEAV-NKWVEPMBSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds1

About (4S,6R)-6-ethyl-4-methyloxan-2-one

(4S,6R)-6-ethyl-4-methyloxan-2-one (PubChem CID 90453462) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4S,6R)-6-ethyl-4-methyloxan-2-one.

Molecular Properties

Compound Name(4S,6R)-6-ethyl-4-methyloxan-2-one
PubChem CID90453462
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4S,6R)-6-ethyl-4-methyloxan-2-one
SMILESCC[C@@H]1C[C@H](C)CC(=O)O1
InChIInChI=1S/C8H14O2/c1-3-7-4-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyASTJCHQBNYTEAV-NKWVEPMBSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-ethyl-4-methyloxan-2-one?
The IUPAC name of (4S,6R)-6-ethyl-4-methyloxan-2-one (CID 90453462) is (4S,6R)-6-ethyl-4-methyloxan-2-one.
What is the SMILES notation for (4S,6R)-6-ethyl-4-methyloxan-2-one?
The canonical SMILES for (4S,6R)-6-ethyl-4-methyloxan-2-one is CC[C@@H]1C[C@H](C)CC(=O)O1.
What is the InChIKey of (4S,6R)-6-ethyl-4-methyloxan-2-one?
The InChIKey is ASTJCHQBNYTEAV-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7-4-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (4S,6R)-6-ethyl-4-methyloxan-2-one?
(4S,6R)-6-ethyl-4-methyloxan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-ethyl-4-methyloxan-2-one is sourced from PubChem (CID 90453462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).