(2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol

C7H12O2 — CID 10510873

IUPAC(2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@@H]1C=C[C@@H](O)[C@@H](C)O1
InChIInChI=1S/C7H12O2/c1-5-3-4-7(8)6(2)9-5/h3-8H,1-2H3/t5-,6-,7-/m1/s1
InChIKeyNLOKNHKUHFSNCO-FSDSQADBSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds

About (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol

(2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 10510873) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID10510873
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@@H]1C=C[C@@H](O)[C@@H](C)O1
InChIInChI=1S/C7H12O2/c1-5-3-4-7(8)6(2)9-5/h3-8H,1-2H3/t5-,6-,7-/m1/s1
InChIKeyNLOKNHKUHFSNCO-FSDSQADBSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
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,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol (CID 10510873) is (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol is C[C@@H]1C=C[C@@H](O)[C@@H](C)O1.
What is the InChIKey of (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is NLOKNHKUHFSNCO-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-4-7(8)6(2)9-5/h3-8H,1-2H3/t5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 10510873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).