(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one

C6H10O3 — CID 97303838

IUPAC(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
SMILESC[C@@H]1COC(=O)[C@]1(C)O
InChIInChI=1S/C6H10O3/c1-4-3-9-5(7)6(4,2)8/h4,8H,3H2,1-2H3/t4-,6-/m1/s1
InChIKeyOFRUQYRFAHRISE-INEUFUBQSA-N
MW130.14 g/mol
LogP-0.07
Rot. Bonds

About (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one

(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one (PubChem CID 97303838) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
PubChem CID97303838
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
SMILESC[C@@H]1COC(=O)[C@]1(C)O
InChIInChI=1S/C6H10O3/c1-4-3-9-5(7)6(4,2)8/h4,8H,3H2,1-2H3/t4-,6-/m1/s1
InChIKeyOFRUQYRFAHRISE-INEUFUBQSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
(3aS,7R,7aS)-7-hydroxy-2,2,7-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-one
CID 102026058
(4Z)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.015,18]octadec-4-ene-3,9-dione
CID 5352417
(2R,3aR,4'R,7S,7aR)-4',7,7a-trimethylspiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
CID 24879817
2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione
CID 70018181
(1R,4Z,6S,7R,11R,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
CID 11900045
(1R,4Z,11S,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
CID 23305290
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
(1R,4Z,6S,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione;hydrochloride
CID 20840617
3,4-dihydroxy-3,5-dimethyloxolan-2-one
CID 130144854
4-amino-3,3-dimethyloxolan-2-one
CID 59657819

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one?
The IUPAC name of (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one (CID 97303838) is (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one is C[C@@H]1COC(=O)[C@]1(C)O.
What is the InChIKey of (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one?
The InChIKey is OFRUQYRFAHRISE-INEUFUBQSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-3-9-5(7)6(4,2)8/h4,8H,3H2,1-2H3/t4-,6-/m1/s1.
What are the key properties of (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one?
(3R,4R)-3-hydroxy-3,4-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 (3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 97303838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).