(4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one

C11H20O4 — CID 10608760

IUPAC(4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@]1(C)C(C)(CO)CCO
InChIInChI=1S/C11H20O4/c1-8-6-9(14)15-11(8,3)10(2,7-13)4-5-12/h8,12-13H,4-7H2,1-3H3/t8-,10?,11+/m1/s1
InChIKeyWYLQQPWYPVPOEP-WUQUSSCSSA-N
MW216.28 g/mol
LogP0.71
Rot. Bonds4

About (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one

(4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one (PubChem CID 10608760) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one
PubChem CID10608760
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@]1(C)C(C)(CO)CCO
InChIInChI=1S/C11H20O4/c1-8-6-9(14)15-11(8,3)10(2,7-13)4-5-12/h8,12-13H,4-7H2,1-3H3/t8-,10?,11+/m1/s1
InChIKeyWYLQQPWYPVPOEP-WUQUSSCSSA-N
XLogP0.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one?
The IUPAC name of (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one (CID 10608760) is (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one is C[C@@H]1CC(=O)O[C@]1(C)C(C)(CO)CCO.
What is the InChIKey of (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one?
The InChIKey is WYLQQPWYPVPOEP-WUQUSSCSSA-N. The full InChI is InChI=1S/C11H20O4/c1-8-6-9(14)15-11(8,3)10(2,7-13)4-5-12/h8,12-13H,4-7H2,1-3H3/t8-,10?,11+/m1/s1.
What are the key properties of (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one?
(4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one has a molecular weight of 216.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(1,4-dihydroxy-2-methylbutan-2-yl)-4,5-dimethyloxolan-2-one is sourced from PubChem (CID 10608760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).