6-ethyl-2-methoxy-5-methyloxane-3,4-diol

C9H18O4 — CID 59347348

IUPAC6-ethyl-2-methoxy-5-methyloxane-3,4-diol
SMILESCCC1OC(OC)C(O)C(O)C1C
InChIInChI=1S/C9H18O4/c1-4-6-5(2)7(10)8(11)9(12-3)13-6/h5-11H,4H2,1-3H3
InChIKeyYJTCDXNTRNFXPT-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.13
Rot. Bonds2

About 6-ethyl-2-methoxy-5-methyloxane-3,4-diol

6-ethyl-2-methoxy-5-methyloxane-3,4-diol (PubChem CID 59347348) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name6-ethyl-2-methoxy-5-methyloxane-3,4-diol
PubChem CID59347348
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name6-ethyl-2-methoxy-5-methyloxane-3,4-diol
SMILESCCC1OC(OC)C(O)C(O)C1C
InChIInChI=1S/C9H18O4/c1-4-6-5(2)7(10)8(11)9(12-3)13-6/h5-11H,4H2,1-3H3
InChIKeyYJTCDXNTRNFXPT-UHFFFAOYSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-5-methyloxane-3,4-diol?
The IUPAC name of 6-ethyl-2-methoxy-5-methyloxane-3,4-diol (CID 59347348) is 6-ethyl-2-methoxy-5-methyloxane-3,4-diol.
What is the SMILES notation for 6-ethyl-2-methoxy-5-methyloxane-3,4-diol?
The canonical SMILES for 6-ethyl-2-methoxy-5-methyloxane-3,4-diol is CCC1OC(OC)C(O)C(O)C1C.
What is the InChIKey of 6-ethyl-2-methoxy-5-methyloxane-3,4-diol?
The InChIKey is YJTCDXNTRNFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-6-5(2)7(10)8(11)9(12-3)13-6/h5-11H,4H2,1-3H3.
What are the key properties of 6-ethyl-2-methoxy-5-methyloxane-3,4-diol?
6-ethyl-2-methoxy-5-methyloxane-3,4-diol has a molecular weight of 190.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-5-methyloxane-3,4-diol is sourced from PubChem (CID 59347348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).