2,2-ditert-butyl-4-methylpyran

C14H24O — CID 174850553

IUPAC2,2-ditert-butyl-4-methylpyran
SMILESCC1=CC(C(C)(C)C)(C(C)(C)C)OC=C1
InChIInChI=1S/C14H24O/c1-11-8-9-15-14(10-11,12(2,3)4)13(5,6)7/h8-10H,1-7H3
InChIKeyBBHQXWODSGNNKC-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.31
Rot. Bonds

About 2,2-ditert-butyl-4-methylpyran

2,2-ditert-butyl-4-methylpyran (PubChem CID 174850553) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,2-ditert-butyl-4-methylpyran.

Molecular Properties

Compound Name2,2-ditert-butyl-4-methylpyran
PubChem CID174850553
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,2-ditert-butyl-4-methylpyran
SMILESCC1=CC(C(C)(C)C)(C(C)(C)C)OC=C1
InChIInChI=1S/C14H24O/c1-11-8-9-15-14(10-11,12(2,3)4)13(5,6)7/h8-10H,1-7H3
InChIKeyBBHQXWODSGNNKC-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-4-methylpyran?
The IUPAC name of 2,2-ditert-butyl-4-methylpyran (CID 174850553) is 2,2-ditert-butyl-4-methylpyran.
What is the SMILES notation for 2,2-ditert-butyl-4-methylpyran?
The canonical SMILES for 2,2-ditert-butyl-4-methylpyran is CC1=CC(C(C)(C)C)(C(C)(C)C)OC=C1.
What is the InChIKey of 2,2-ditert-butyl-4-methylpyran?
The InChIKey is BBHQXWODSGNNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11-8-9-15-14(10-11,12(2,3)4)13(5,6)7/h8-10H,1-7H3.
What are the key properties of 2,2-ditert-butyl-4-methylpyran?
2,2-ditert-butyl-4-methylpyran has a molecular weight of 208.34 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-4-methylpyran is sourced from PubChem (CID 174850553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).