2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran

C12H22O — CID 123666530

IUPAC2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCCCCC1OC(C)=CC(C)C1C
InChIInChI=1S/C12H22O/c1-5-6-7-12-11(4)9(2)8-10(3)13-12/h8-9,11-12H,5-7H2,1-4H3
InChIKeyRNRLFLPWXHRLPH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds3

About 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran

2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran (PubChem CID 123666530) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
PubChem CID123666530
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCCCCC1OC(C)=CC(C)C1C
InChIInChI=1S/C12H22O/c1-5-6-7-12-11(4)9(2)8-10(3)13-12/h8-9,11-12H,5-7H2,1-4H3
InChIKeyRNRLFLPWXHRLPH-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran (CID 123666530) is 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran is CCCCC1OC(C)=CC(C)C1C.
What is the InChIKey of 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The InChIKey is RNRLFLPWXHRLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-7-12-11(4)9(2)8-10(3)13-12/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 123666530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).