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

C7H12O3 — CID 10329410

IUPAC(2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1C=CO[C@@H](C)[C@@H]1O
InChIInChI=1S/C7H12O3/c1-5-7(8)6(9-2)3-4-10-5/h3-8H,1-2H3/t5-,6-,7-/m0/s1
InChIKeyLKUYCKVMVSTQSU-ACZMJKKPSA-N
MW144.17 g/mol
LogP0.29
Rot. Bonds1

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

(2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol (PubChem CID 10329410) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol
PubChem CID10329410
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1C=CO[C@@H](C)[C@@H]1O
InChIInChI=1S/C7H12O3/c1-5-7(8)6(9-2)3-4-10-5/h3-8H,1-2H3/t5-,6-,7-/m0/s1
InChIKeyLKUYCKVMVSTQSU-ACZMJKKPSA-N
XLogP0.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol (CID 10329410) is (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol is CO[C@H]1C=CO[C@@H](C)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is LKUYCKVMVSTQSU-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-7(8)6(9-2)3-4-10-5/h3-8H,1-2H3/t5-,6-,7-/m0/s1.
What are the key properties of (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol?
(2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 144.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-methoxy-2-methyl-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 10329410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).