(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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Related Compounds

2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
(2R)-2-ethenyl-2,6,6-trimethyl-3H-pyran
CID 163003859
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
1,4-Dimethyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 54124979
6-Oxaspiro[4,5]dec-9-ene
CID 66602964
2-Methoxy-2-propyl-benzene
CID 67683982
5-Fluoro-3-methoxy-3-methylcyclohexene
CID 141827209
2-Ethenyl-2,6,6-trimethyl-3,6-dihydro-2H-pyran
CID 71341137
2,2,6,6-tetramethyl-3H-pyran
CID 11126343
4-(But-2-enoxymethyl)cyclohexene
CID 141672466
3,6,6-Trimethyl-5-prop-2-enyl-2,3-dihydropyran
CID 11095002
(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
CID 11182804

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).