2,6-ditert-butyl-4-methylidenepyran

C14H22O — CID 12564554

IUPAC2,6-ditert-butyl-4-methylidenepyran
SMILESC=C1C=C(C(C)(C)C)OC(C(C)(C)C)=C1
InChIInChI=1S/C14H22O/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1H2,2-7H3
InChIKeySTJFVVNECWMTSN-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.43
Rot. Bonds

About 2,6-ditert-butyl-4-methylidenepyran

2,6-ditert-butyl-4-methylidenepyran (PubChem CID 12564554) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylidenepyran.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylidenepyran
PubChem CID12564554
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,6-ditert-butyl-4-methylidenepyran
SMILESC=C1C=C(C(C)(C)C)OC(C(C)(C)C)=C1
InChIInChI=1S/C14H22O/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1H2,2-7H3
InChIKeySTJFVVNECWMTSN-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylidenepyran?
The IUPAC name of 2,6-ditert-butyl-4-methylidenepyran (CID 12564554) is 2,6-ditert-butyl-4-methylidenepyran.
What is the SMILES notation for 2,6-ditert-butyl-4-methylidenepyran?
The canonical SMILES for 2,6-ditert-butyl-4-methylidenepyran is C=C1C=C(C(C)(C)C)OC(C(C)(C)C)=C1.
What is the InChIKey of 2,6-ditert-butyl-4-methylidenepyran?
The InChIKey is STJFVVNECWMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1H2,2-7H3.
What are the key properties of 2,6-ditert-butyl-4-methylidenepyran?
2,6-ditert-butyl-4-methylidenepyran has a molecular weight of 206.33 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylidenepyran is sourced from PubChem (CID 12564554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).