(2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol

C8H12O2 — CID 100943275

IUPAC(2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol
SMILESC=C[C@@]1(O)C=CCO[C@@H]1C
InChIInChI=1S/C8H12O2/c1-3-8(9)5-4-6-10-7(8)2/h3-5,7,9H,1,6H2,2H3/t7-,8-/m1/s1
InChIKeyWFVMBYZXWUICAA-HTQZYQBOSA-N
MW140.18 g/mol
LogP0.88
Rot. Bonds1

About (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol

(2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol (PubChem CID 100943275) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol.

Molecular Properties

Compound Name(2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol
PubChem CID100943275
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol
SMILESC=C[C@@]1(O)C=CCO[C@@H]1C
InChIInChI=1S/C8H12O2/c1-3-8(9)5-4-6-10-7(8)2/h3-5,7,9H,1,6H2,2H3/t7-,8-/m1/s1
InChIKeyWFVMBYZXWUICAA-HTQZYQBOSA-N
XLogP0.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol?
The IUPAC name of (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol (CID 100943275) is (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol.
What is the SMILES notation for (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol?
The canonical SMILES for (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol is C=C[C@@]1(O)C=CCO[C@@H]1C.
What is the InChIKey of (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol?
The InChIKey is WFVMBYZXWUICAA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(9)5-4-6-10-7(8)2/h3-5,7,9H,1,6H2,2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol?
(2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol has a molecular weight of 140.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol is sourced from PubChem (CID 100943275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).