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

C12H20O — CID 12023486

IUPAC(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1CC=C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C12H20O/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h5,9-12H,2-4,6-8H2,1H3/t10-,12-/m0/s1
InChIKeyZLGJOFNYGMJHRO-JQWIXIFHSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds1

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

(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran (PubChem CID 12023486) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
PubChem CID12023486
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
SMILESC[C@H]1CC=C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C12H20O/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h5,9-12H,2-4,6-8H2,1H3/t10-,12-/m0/s1
InChIKeyZLGJOFNYGMJHRO-JQWIXIFHSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran (CID 12023486) is (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran is C[C@H]1CC=C[C@@H](C2CCCCC2)O1.
What is the InChIKey of (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran?
The InChIKey is ZLGJOFNYGMJHRO-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H20O/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h5,9-12H,2-4,6-8H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran?
(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran has a molecular weight of 180.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 12023486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).