1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone

C10H18O4 — CID 58201918

IUPAC1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone
SMILESCCC1OC(C(C)=O)C(C)C(O)C1O
InChIInChI=1S/C10H18O4/c1-4-7-9(13)8(12)5(2)10(14-7)6(3)11/h5,7-10,12-13H,4H2,1-3H3
InChIKeyVXLHVKKGNIBKBW-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.11
Rot. Bonds2

About 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone

1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone (PubChem CID 58201918) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone
PubChem CID58201918
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone
SMILESCCC1OC(C(C)=O)C(C)C(O)C1O
InChIInChI=1S/C10H18O4/c1-4-7-9(13)8(12)5(2)10(14-7)6(3)11/h5,7-10,12-13H,4H2,1-3H3
InChIKeyVXLHVKKGNIBKBW-UHFFFAOYSA-N
XLogP0.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone?
The IUPAC name of 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone (CID 58201918) is 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone is CCC1OC(C(C)=O)C(C)C(O)C1O.
What is the InChIKey of 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone?
The InChIKey is VXLHVKKGNIBKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-7-9(13)8(12)5(2)10(14-7)6(3)11/h5,7-10,12-13H,4H2,1-3H3.
What are the key properties of 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone?
1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone has a molecular weight of 202.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)ethanone is sourced from PubChem (CID 58201918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).