[(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate

C9H14O5 — CID 15150151

IUPAC[(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)CC[C@@]1(C)O
InChIInChI=1S/C9H14O5/c1-6(10)13-5-7-9(2,12)4-3-8(11)14-7/h7,12H,3-5H2,1-2H3/t7-,9-/m1/s1
InChIKeyVCRMLYUUDCIERX-VXNVDRBHSA-N
MW202.21 g/mol
LogP0.01
Rot. Bonds2

About [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate

[(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate (PubChem CID 15150151) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate
PubChem CID15150151
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name[(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)CC[C@@]1(C)O
InChIInChI=1S/C9H14O5/c1-6(10)13-5-7-9(2,12)4-3-8(11)14-7/h7,12H,3-5H2,1-2H3/t7-,9-/m1/s1
InChIKeyVCRMLYUUDCIERX-VXNVDRBHSA-N
XLogP0.01
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-6,6-dimethyloxan-2-one
CID 101665842
2-(3-Hydroxyoxan-3-yl)acetic acid
CID 64175224
(2R,4S,5R)-4,5-Dihydroxy-2-methyloxane-2-carboxylic acid
CID 154814366
(4r,6r)-6-(Hydroxymethyl)-4-methyltetrahydro-2h-pyran-2-one
CID 58160165
[(3R,4S,5S,6R)-5-acetyl-4-acetyloxy-6-fluoro-5-hydroxyoxan-3-yl] acetate
CID 67531090
[(3S,4R,5R,6S)-5-acetyl-4-acetyloxy-6-fluoro-5-hydroxyoxan-3-yl] acetate
CID 67532434
(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-one
CID 89372150
[(2S,3R)-3-hydroxy-3-methyloxan-2-yl]methyl acetate
CID 10976238
[(2S,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate
CID 15150150
(6R)-6-butyl-6-[(1S)-1,2-dihydroxyethyl]oxan-2-one
CID 25135923
3-[2-(Carboxymethyl)-1,4-dioxan-2-yl]propanoic acid
CID 138977839
3-C-Methyl-D-allono-1,5-lactone
CID 139071381

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate (CID 15150151) is [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(=O)CC[C@@]1(C)O.
What is the InChIKey of [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate?
The InChIKey is VCRMLYUUDCIERX-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H14O5/c1-6(10)13-5-7-9(2,12)4-3-8(11)14-7/h7,12H,3-5H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate?
[(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate has a molecular weight of 202.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-hydroxy-3-methyl-6-oxooxan-2-yl]methyl acetate is sourced from PubChem (CID 15150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).