(4R)-4-hydroxy-5,5-dimethyloxolan-2-one

C6H10O3 — CID 15565117

IUPAC(4R)-4-hydroxy-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)C[C@H]1O
InChIInChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3/t4-/m1/s1
InChIKeySIEVQTNTRMBCHO-SCSAIBSYSA-N
MW130.14 g/mol
LogP0.07
Rot. Bonds

About (4R)-4-hydroxy-5,5-dimethyloxolan-2-one

(4R)-4-hydroxy-5,5-dimethyloxolan-2-one (PubChem CID 15565117) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (4R)-4-hydroxy-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-5,5-dimethyloxolan-2-one
PubChem CID15565117
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(4R)-4-hydroxy-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)C[C@H]1O
InChIInChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3/t4-/m1/s1
InChIKeySIEVQTNTRMBCHO-SCSAIBSYSA-N
XLogP0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydroxy-3-methyloxolan-2-one
CID 11469098
(3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one
CID 11126294
2-C-Methyl-D-ribono-1,4-lactone
CID 11805069
5,5-Dimethyloxolane-3-carboxylic acid
CID 121582920
Isosaccharino-1,4-lactone
CID 64785
5-Methyloxolane-3-carboxylic acid
CID 75481686
Acetic acid (2S,3R)-2-hydroxymethyl-5-oxo-tetrahydro-furan-3-yl ester
CID 44276164
(3R,4R)-4-hydroxy-3-methyloxolan-2-one
CID 10997004
(3S,4R)-3,4-dihydroxy-3-methyloxolan-2-one
CID 11116103
(3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydrofuran-2(3H)-one
CID 56605413
3,4-Dihydroxy-5-methyl-dihydrofuran-2-one
CID 548246
(4S,5R)-4-hydroxy-5-methyloxolan-2-one
CID 10986192

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-5,5-dimethyloxolan-2-one?
The IUPAC name of (4R)-4-hydroxy-5,5-dimethyloxolan-2-one (CID 15565117) is (4R)-4-hydroxy-5,5-dimethyloxolan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-5,5-dimethyloxolan-2-one?
The canonical SMILES for (4R)-4-hydroxy-5,5-dimethyloxolan-2-one is CC1(C)OC(=O)C[C@H]1O.
What is the InChIKey of (4R)-4-hydroxy-5,5-dimethyloxolan-2-one?
The InChIKey is SIEVQTNTRMBCHO-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (4R)-4-hydroxy-5,5-dimethyloxolan-2-one?
(4R)-4-hydroxy-5,5-dimethyloxolan-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 15565117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).