(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one

C10H14O4 — CID 11138067

IUPAC(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
SMILESC[C@H]1C[C@H]([C@H]2C[C@H](C)C(=O)O2)OC1=O
InChIInChI=1S/C10H14O4/c1-5-3-7(13-9(5)11)8-4-6(2)10(12)14-8/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKeyGRYYOJBQSXBTPZ-RULNZFCNSA-N
MW198.22 g/mol
LogP0.89
Rot. Bonds1

About (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one

(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one (PubChem CID 11138067) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
PubChem CID11138067
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
SMILESC[C@H]1C[C@H]([C@H]2C[C@H](C)C(=O)O2)OC1=O
InChIInChI=1S/C10H14O4/c1-5-3-7(13-9(5)11)8-4-6(2)10(12)14-8/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKeyGRYYOJBQSXBTPZ-RULNZFCNSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one?
The IUPAC name of (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one (CID 11138067) is (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one.
What is the SMILES notation for (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one?
The canonical SMILES for (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one is C[C@H]1C[C@H]([C@H]2C[C@H](C)C(=O)O2)OC1=O.
What is the InChIKey of (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one?
The InChIKey is GRYYOJBQSXBTPZ-RULNZFCNSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-3-7(13-9(5)11)8-4-6(2)10(12)14-8/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one?
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 11138067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).