6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol

C9H16O3 — CID 59573979

IUPAC6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCCC1=CC(O)C(C)C(OC)O1
InChIInChI=1S/C9H16O3/c1-4-7-5-8(10)6(2)9(11-3)12-7/h5-6,8-10H,4H2,1-3H3
InChIKeyWGJFIAVNPDCXDO-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.28
Rot. Bonds2

About 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol

6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol (PubChem CID 59573979) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol
PubChem CID59573979
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCCC1=CC(O)C(C)C(OC)O1
InChIInChI=1S/C9H16O3/c1-4-7-5-8(10)6(2)9(11-3)12-7/h5-6,8-10H,4H2,1-3H3
InChIKeyWGJFIAVNPDCXDO-UHFFFAOYSA-N
XLogP1.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde
CID 59573960
(2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol
CID 14526864
2-ethyl-5,6-dimethylcyclohex-2-ene-1,4-diol
CID 59229432
methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate
CID 14540627
4-butoxy-3-ethyl-5,6-dimethylcyclohex-2-en-1-ol
CID 59229227
1-[(2S,3S)-3-hydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-yl]propan-1-one
CID 130977901
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol (CID 59573979) is 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol is CCC1=CC(O)C(C)C(OC)O1.
What is the InChIKey of 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is WGJFIAVNPDCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-7-5-8(10)6(2)9(11-3)12-7/h5-6,8-10H,4H2,1-3H3.
What are the key properties of 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol?
6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 172.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 59573979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).