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

C15H26O — CID 101147571

IUPAC(2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran
SMILESCCCC[C@@H]1C=CCO[C@H]1C1CCCCC1
InChIInChI=1S/C15H26O/c1-2-3-8-13-11-7-12-16-15(13)14-9-5-4-6-10-14/h7,11,13-15H,2-6,8-10,12H2,1H3/t13-,15-/m1/s1
InChIKeyHLUFJYBQQWYOBT-UKRRQHHQSA-N
MW222.37 g/mol
LogP4.33
Rot. Bonds4

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

(2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran (PubChem CID 101147571) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran
PubChem CID101147571
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran
SMILESCCCC[C@@H]1C=CCO[C@H]1C1CCCCC1
InChIInChI=1S/C15H26O/c1-2-3-8-13-11-7-12-16-15(13)14-9-5-4-6-10-14/h7,11,13-15H,2-6,8-10,12H2,1H3/t13-,15-/m1/s1
InChIKeyHLUFJYBQQWYOBT-UKRRQHHQSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.33
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,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran (CID 101147571) is (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran is CCCC[C@@H]1C=CCO[C@H]1C1CCCCC1.
What is the InChIKey of (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran?
The InChIKey is HLUFJYBQQWYOBT-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-8-13-11-7-12-16-15(13)14-9-5-4-6-10-14/h7,11,13-15H,2-6,8-10,12H2,1H3/t13-,15-/m1/s1.
What are the key properties of (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran?
(2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran has a molecular weight of 222.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 101147571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).