(2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol

C8H14O3 — CID 14526864

IUPAC(2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol
SMILESCCC1=C[C@@H](O)C[C@@H](OC)O1
InChIInChI=1S/C8H14O3/c1-3-7-4-6(9)5-8(10-2)11-7/h4,6,8-9H,3,5H2,1-2H3/t6-,8+/m1/s1
InChIKeyXECLBUDRQMEDOK-SVRRBLITSA-N
MW158.20 g/mol
LogP1.03
Rot. Bonds2

About (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol

(2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol (PubChem CID 14526864) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol
PubChem CID14526864
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol
SMILESCCC1=C[C@@H](O)C[C@@H](OC)O1
InChIInChI=1S/C8H14O3/c1-3-7-4-6(9)5-8(10-2)11-7/h4,6,8-9H,3,5H2,1-2H3/t6-,8+/m1/s1
InChIKeyXECLBUDRQMEDOK-SVRRBLITSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol (CID 14526864) is (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol is CCC1=C[C@@H](O)C[C@@H](OC)O1.
What is the InChIKey of (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is XECLBUDRQMEDOK-SVRRBLITSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7-4-6(9)5-8(10-2)11-7/h4,6,8-9H,3,5H2,1-2H3/t6-,8+/m1/s1.
What are the key properties of (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol?
(2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 158.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-6-ethyl-2-methoxy-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 14526864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).