2-tert-butyl-6-methyl-4H-pyran

C10H16O — CID 141260258

IUPAC2-tert-butyl-6-methyl-4H-pyran
SMILESCC1=CCC=C(C(C)(C)C)O1
InChIInChI=1S/C10H16O/c1-8-6-5-7-9(11-8)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyYFWFSOBDQCHPPQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.24
Rot. Bonds

About 2-tert-butyl-6-methyl-4H-pyran

2-tert-butyl-6-methyl-4H-pyran (PubChem CID 141260258) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-4H-pyran.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-4H-pyran
PubChem CID141260258
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-tert-butyl-6-methyl-4H-pyran
SMILESCC1=CCC=C(C(C)(C)C)O1
InChIInChI=1S/C10H16O/c1-8-6-5-7-9(11-8)10(2,3)4/h6-7H,5H2,1-4H3
InChIKeyYFWFSOBDQCHPPQ-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-4H-pyran;ethane
CID 143762964
2,6-bis(tert-butylsulfanyl)-4H-pyran
CID 173329821
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CID 175479937
(5-tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
CID 22996629
5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
2,6-ditert-butyl-4-methylidenepyran
CID 12564554
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol
CID 116872991
3-tert-butyl-6-methyl-2H-pyran
CID 565288
5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene
CID 91336827
1,2,6-trimethyl-4H-pyridine
CID 118906962
2,6-dimethyl-4H-thiopyran
CID 54402561

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-4H-pyran?
The IUPAC name of 2-tert-butyl-6-methyl-4H-pyran (CID 141260258) is 2-tert-butyl-6-methyl-4H-pyran.
What is the SMILES notation for 2-tert-butyl-6-methyl-4H-pyran?
The canonical SMILES for 2-tert-butyl-6-methyl-4H-pyran is CC1=CCC=C(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-6-methyl-4H-pyran?
The InChIKey is YFWFSOBDQCHPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-6-5-7-9(11-8)10(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-4H-pyran?
2-tert-butyl-6-methyl-4H-pyran has a molecular weight of 152.24 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-4H-pyran is sourced from PubChem (CID 141260258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).