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

C8H14O3 — CID 70580186

IUPAC2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCCC1OC(OC)C=CC1O
InChIInChI=1S/C8H14O3/c1-3-7-6(9)4-5-8(10-2)11-7/h4-9H,3H2,1-2H3
InChIKeyMSFOMJQMCNGIEB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.68
Rot. Bonds2

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

2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 70580186) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID70580186
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCCC1OC(OC)C=CC1O
InChIInChI=1S/C8H14O3/c1-3-7-6(9)4-5-8(10-2)11-7/h4-9H,3H2,1-2H3
InChIKeyMSFOMJQMCNGIEB-UHFFFAOYSA-N
XLogP0.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol (CID 70580186) is 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol is CCC1OC(OC)C=CC1O.
What is the InChIKey of 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is MSFOMJQMCNGIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7-6(9)4-5-8(10-2)11-7/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol?
2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 70580186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).