[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate

C10H18O4 — CID 134194797

IUPAC[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate
SMILESCC[C@H]1OC(O)C[C@@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C10H18O4/c1-4-8-6(2)9(13-7(3)11)5-10(12)14-8/h6,8-10,12H,4-5H2,1-3H3/t6-,8-,9-,10?/m1/s1
InChIKeyBLNMUOHXHGZKCA-XIWVQZPPSA-N
MW202.25 g/mol
LogP1.07
Rot. Bonds2

About [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate

[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate (PubChem CID 134194797) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate
PubChem CID134194797
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate
SMILESCC[C@H]1OC(O)C[C@@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C10H18O4/c1-4-8-6(2)9(13-7(3)11)5-10(12)14-8/h6,8-10,12H,4-5H2,1-3H3/t6-,8-,9-,10?/m1/s1
InChIKeyBLNMUOHXHGZKCA-XIWVQZPPSA-N
XLogP1.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(2R,3S,4S,5S)-5-acetyloxy-2-ethyl-3,6-dimethyloxan-4-yl] acetate
CID 121295685
[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
CID 156614307
[(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-sulfanyloxan-3-yl] acetate
CID 158354110
[(3R,4S,5S,6R)-3-acetyloxy-2-bromo-6-ethyl-5-methyloxan-4-yl] acetate
CID 157456207
(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate
CID 158170533
(6-ethyl-3-(18F)fluoro-4,5-dimethyloxan-2-yl) acetate
CID 71289777
(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005
[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate
CID 118894761
[(1R,2S,3R,4S)-4-hydroxy-2,3-dimethylcyclopentyl] acetate
CID 130206896

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate?
The IUPAC name of [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate (CID 134194797) is [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate is CC[C@H]1OC(O)C[C@@H](OC(C)=O)[C@@H]1C.
What is the InChIKey of [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate?
The InChIKey is BLNMUOHXHGZKCA-XIWVQZPPSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-8-6(2)9(13-7(3)11)5-10(12)14-8/h6,8-10,12H,4-5H2,1-3H3/t6-,8-,9-,10?/m1/s1.
What are the key properties of [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate?
[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate has a molecular weight of 202.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate is sourced from PubChem (CID 134194797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).