(6R)-6-butyl-2,2,6-trimethyl-3H-pyran

C12H22O — CID 101414729

IUPAC(6R)-6-butyl-2,2,6-trimethyl-3H-pyran
SMILESCCCC[C@]1(C)C=CCC(C)(C)O1
InChIInChI=1S/C12H22O/c1-5-6-9-12(4)10-7-8-11(2,3)13-12/h7,10H,5-6,8-9H2,1-4H3/t12-/m1/s1
InChIKeyILQGIXCLNPVVNY-GFCCVEGCSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds3

About (6R)-6-butyl-2,2,6-trimethyl-3H-pyran

(6R)-6-butyl-2,2,6-trimethyl-3H-pyran (PubChem CID 101414729) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (6R)-6-butyl-2,2,6-trimethyl-3H-pyran.

Molecular Properties

Compound Name(6R)-6-butyl-2,2,6-trimethyl-3H-pyran
PubChem CID101414729
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(6R)-6-butyl-2,2,6-trimethyl-3H-pyran
SMILESCCCC[C@]1(C)C=CCC(C)(C)O1
InChIInChI=1S/C12H22O/c1-5-6-9-12(4)10-7-8-11(2,3)13-12/h7,10H,5-6,8-9H2,1-4H3/t12-/m1/s1
InChIKeyILQGIXCLNPVVNY-GFCCVEGCSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
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 (6R)-6-butyl-2,2,6-trimethyl-3H-pyran?
The IUPAC name of (6R)-6-butyl-2,2,6-trimethyl-3H-pyran (CID 101414729) is (6R)-6-butyl-2,2,6-trimethyl-3H-pyran.
What is the SMILES notation for (6R)-6-butyl-2,2,6-trimethyl-3H-pyran?
The canonical SMILES for (6R)-6-butyl-2,2,6-trimethyl-3H-pyran is CCCC[C@]1(C)C=CCC(C)(C)O1.
What is the InChIKey of (6R)-6-butyl-2,2,6-trimethyl-3H-pyran?
The InChIKey is ILQGIXCLNPVVNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-9-12(4)10-7-8-11(2,3)13-12/h7,10H,5-6,8-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (6R)-6-butyl-2,2,6-trimethyl-3H-pyran?
(6R)-6-butyl-2,2,6-trimethyl-3H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-2,2,6-trimethyl-3H-pyran is sourced from PubChem (CID 101414729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).