4-ethyl-2-methoxy-6-methyloxan-3-ol

C9H18O3 — CID 123374127

IUPAC4-ethyl-2-methoxy-6-methyloxan-3-ol
SMILESCCC1CC(C)OC(OC)C1O
InChIInChI=1S/C9H18O3/c1-4-7-5-6(2)12-9(11-3)8(7)10/h6-10H,4-5H2,1-3H3
InChIKeyAROITWJMSKGJEB-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.15
Rot. Bonds2

About 4-ethyl-2-methoxy-6-methyloxan-3-ol

4-ethyl-2-methoxy-6-methyloxan-3-ol (PubChem CID 123374127) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-ethyl-2-methoxy-6-methyloxan-3-ol.

Molecular Properties

Compound Name4-ethyl-2-methoxy-6-methyloxan-3-ol
PubChem CID123374127
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name4-ethyl-2-methoxy-6-methyloxan-3-ol
SMILESCCC1CC(C)OC(OC)C1O
InChIInChI=1S/C9H18O3/c1-4-7-5-6(2)12-9(11-3)8(7)10/h6-10H,4-5H2,1-3H3
InChIKeyAROITWJMSKGJEB-UHFFFAOYSA-N
XLogP1.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxy-6-methyloxan-3-ol?
The IUPAC name of 4-ethyl-2-methoxy-6-methyloxan-3-ol (CID 123374127) is 4-ethyl-2-methoxy-6-methyloxan-3-ol.
What is the SMILES notation for 4-ethyl-2-methoxy-6-methyloxan-3-ol?
The canonical SMILES for 4-ethyl-2-methoxy-6-methyloxan-3-ol is CCC1CC(C)OC(OC)C1O.
What is the InChIKey of 4-ethyl-2-methoxy-6-methyloxan-3-ol?
The InChIKey is AROITWJMSKGJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-7-5-6(2)12-9(11-3)8(7)10/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-2-methoxy-6-methyloxan-3-ol?
4-ethyl-2-methoxy-6-methyloxan-3-ol has a molecular weight of 174.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxy-6-methyloxan-3-ol is sourced from PubChem (CID 123374127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).