(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol

C8H14O3 — CID 143821584

IUPAC(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCCO[C@H]1C(O)C=COC1C
InChIInChI=1S/C8H14O3/c1-3-10-8-6(2)11-5-4-7(8)9/h4-9H,3H2,1-2H3/t6?,7?,8-/m1/s1
InChIKeyTXERNXHNGAVPBI-KAVNDROISA-N
MW158.20 g/mol
LogP0.68
Rot. Bonds2

About (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol

(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol (PubChem CID 143821584) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
PubChem CID143821584
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCCO[C@H]1C(O)C=COC1C
InChIInChI=1S/C8H14O3/c1-3-10-8-6(2)11-5-4-7(8)9/h4-9H,3H2,1-2H3/t6?,7?,8-/m1/s1
InChIKeyTXERNXHNGAVPBI-KAVNDROISA-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

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Related Compounds

(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 12816776
2-ethoxy-2H-oxete
CID 175705413
4-(diethylamino)-2-methyl-3,4-dihydro-2H-pyran-3-ol
CID 130145181
(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol
CID 11744929
(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
CID 118517723
(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
CID 131844419
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate
CID 10758317
triethyl-[(2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl)oxy]silane
CID 59913106
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol (CID 143821584) is (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol is CCO[C@H]1C(O)C=COC1C.
What is the InChIKey of (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is TXERNXHNGAVPBI-KAVNDROISA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-8-6(2)11-5-4-7(8)9/h4-9H,3H2,1-2H3/t6?,7?,8-/m1/s1.
What are the key properties of (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-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 (3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 143821584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).