4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one

C14H24O5 — CID 91526286

IUPAC4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one
SMILESCC(O)C(=O)[C@H](C1C(=O)OC(C)(C)C1O)C(C)(C)C
InChIInChI=1S/C14H24O5/c1-7(15)10(16)9(13(2,3)4)8-11(17)14(5,6)19-12(8)18/h7-9,11,15,17H,1-6H3/t7?,8?,9-,11?/m0/s1
InChIKeyKXOWVQSVULHDSI-KCYTVLDUSA-N
MW272.34 g/mol
LogP0.91
Rot. Bonds3

About 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one

4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one (PubChem CID 91526286) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one
PubChem CID91526286
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one
SMILESCC(O)C(=O)[C@H](C1C(=O)OC(C)(C)C1O)C(C)(C)C
InChIInChI=1S/C14H24O5/c1-7(15)10(16)9(13(2,3)4)8-11(17)14(5,6)19-12(8)18/h7-9,11,15,17H,1-6H3/t7?,8?,9-,11?/m0/s1
InChIKeyKXOWVQSVULHDSI-KCYTVLDUSA-N
XLogP0.91
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one?
The IUPAC name of 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one (CID 91526286) is 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one.
What is the SMILES notation for 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one?
The canonical SMILES for 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one is CC(O)C(=O)[C@H](C1C(=O)OC(C)(C)C1O)C(C)(C)C.
What is the InChIKey of 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one?
The InChIKey is KXOWVQSVULHDSI-KCYTVLDUSA-N. The full InChI is InChI=1S/C14H24O5/c1-7(15)10(16)9(13(2,3)4)8-11(17)14(5,6)19-12(8)18/h7-9,11,15,17H,1-6H3/t7?,8?,9-,11?/m0/s1.
What are the key properties of 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one?
4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one has a molecular weight of 272.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(3R)-5-hydroxy-2,2-dimethyl-4-oxohexan-3-yl]-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 91526286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).