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

C6H10O2 — CID 142846477

IUPAC(3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESC[C@@H]1COC=C[C@H]1O
InChIInChI=1S/C6H10O2/c1-5-4-8-3-2-6(5)7/h2-3,5-7H,4H2,1H3/t5-,6-/m1/s1
InChIKeyRBHMLEAYIFLVNG-PHDIDXHHSA-N
MW114.14 g/mol
LogP0.53
Rot. Bonds

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

(3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol (PubChem CID 142846477) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol
PubChem CID142846477
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESC[C@@H]1COC=C[C@H]1O
InChIInChI=1S/C6H10O2/c1-5-4-8-3-2-6(5)7/h2-3,5-7H,4H2,1H3/t5-,6-/m1/s1
InChIKeyRBHMLEAYIFLVNG-PHDIDXHHSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol (CID 142846477) is (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol is C[C@@H]1COC=C[C@H]1O.
What is the InChIKey of (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is RBHMLEAYIFLVNG-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-4-8-3-2-6(5)7/h2-3,5-7H,4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol?
(3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 114.14 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 142846477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).