[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate

C6H12O4 — CID 130694563

IUPAC[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
SMILESCOC[C@@H](CO)OC(C)=O
InChIInChI=1S/C6H12O4/c1-5(8)10-6(3-7)4-9-2/h6-7H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNMWPCOZWRJFSKR-ZCFIWIBFSA-N
MW148.16 g/mol
LogP-0.44
Rot. Bonds4

About [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate

[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate (PubChem CID 130694563) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
PubChem CID130694563
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
SMILESCOC[C@@H](CO)OC(C)=O
InChIInChI=1S/C6H12O4/c1-5(8)10-6(3-7)4-9-2/h6-7H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNMWPCOZWRJFSKR-ZCFIWIBFSA-N
XLogP-0.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxy-6-methoxyhexan-2-yl) acetate
CID 58841527
(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate
CID 58519918
(2-acetyloxy-3-hydroxypropyl) acetate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87468403
(1-methoxy-5-methyl-4-oxoheptan-2-yl) acetate
CID 87698816
[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
CID 11805240
(1,5-dihydroxy-4-oxohexan-2-yl) acetate
CID 91459137
(1-butylsulfinyl-3-methoxypropan-2-yl) acetate
CID 3380231
[(2R)-2-acetyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 24779495
(1-hydroxy-3-methoxypropan-2-yl) benzoate
CID 54162892
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
(1-hydroxy-3-octadec-9-enylperoxypropan-2-yl) acetate
CID 173327696
(4-acetyloxy-1-methoxypentan-2-yl) propanoate
CID 173082808

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate?
The IUPAC name of [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate (CID 130694563) is [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate is COC[C@@H](CO)OC(C)=O.
What is the InChIKey of [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate?
The InChIKey is NMWPCOZWRJFSKR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O4/c1-5(8)10-6(3-7)4-9-2/h6-7H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate?
[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate has a molecular weight of 148.16 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate is sourced from PubChem (CID 130694563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).