(2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol

C6H10O2 — CID 11320927

IUPAC(2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@@H]1OCC=C[C@@H]1O
InChIInChI=1S/C6H10O2/c1-5-6(7)3-2-4-8-5/h2-3,5-7H,4H2,1H3/t5-,6-/m0/s1
InChIKeyUCWCMVCQQLLRBF-WDSKDSINSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds

About (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol

(2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11320927) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID11320927
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@@H]1OCC=C[C@@H]1O
InChIInChI=1S/C6H10O2/c1-5-6(7)3-2-4-8-5/h2-3,5-7H,4H2,1H3/t5-,6-/m0/s1
InChIKeyUCWCMVCQQLLRBF-WDSKDSINSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
CID 20571371
(2S,3S)-2-phenyl-3,6-dihydro-2H-pyran-3-ol
CID 23245881
ethyl (2R,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 10103604
5-methylcyclopent-2-en-1-ol
CID 23103323
1-(2,5-dihydrofuran-2-yl)ethanone
CID 175402155
[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol
CID 66809111
2,5-dihydrofuran-2-ylmethanol
CID 16760390
[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol
CID 143862209
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(3R)-2-methyloxolan-3-ol
CID 89032581

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol (CID 11320927) is (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol is C[C@@H]1OCC=C[C@@H]1O.
What is the InChIKey of (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is UCWCMVCQQLLRBF-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-6(7)3-2-4-8-5/h2-3,5-7H,4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol?
(2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11320927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).