(3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one

C12H22O3 — CID 6713652

IUPAC(3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one
SMILESCC(=O)[C@H](C)CCO[C@]1(C)OCC[C@@H]1C
InChIInChI=1S/C12H22O3/c1-9(11(3)13)5-7-14-12(4)10(2)6-8-15-12/h9-10H,5-8H2,1-4H3/t9-,10+,12-/m1/s1
InChIKeyOQTJPVDUVXPFKJ-JFGNBEQYSA-N
MW214.30 g/mol
LogP2.39
Rot. Bonds5

About (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one

(3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one (PubChem CID 6713652) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one.

Molecular Properties

Compound Name(3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one
PubChem CID6713652
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one
SMILESCC(=O)[C@H](C)CCO[C@]1(C)OCC[C@@H]1C
InChIInChI=1S/C12H22O3/c1-9(11(3)13)5-7-14-12(4)10(2)6-8-15-12/h9-10H,5-8H2,1-4H3/t9-,10+,12-/m1/s1
InChIKeyOQTJPVDUVXPFKJ-JFGNBEQYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one?
The IUPAC name of (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one (CID 6713652) is (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one.
What is the SMILES notation for (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one?
The canonical SMILES for (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one is CC(=O)[C@H](C)CCO[C@]1(C)OCC[C@@H]1C.
What is the InChIKey of (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one?
The InChIKey is OQTJPVDUVXPFKJ-JFGNBEQYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(11(3)13)5-7-14-12(4)10(2)6-8-15-12/h9-10H,5-8H2,1-4H3/t9-,10+,12-/m1/s1.
What are the key properties of (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one?
(3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one has a molecular weight of 214.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one is sourced from PubChem (CID 6713652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).