2,2-dimethylpyran

C7H10O — CID 15446431

IUPAC2,2-dimethylpyran
SMILESCC1(C)C=CC=CO1
InChIInChI=1S/C7H10O/c1-7(2)5-3-4-6-8-7/h3-6H,1-2H3
InChIKeyRVXLWVZYQUTJBM-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.87
Rot. Bonds

About 2,2-dimethylpyran

2,2-dimethylpyran (PubChem CID 15446431) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,2-dimethylpyran.

Molecular Properties

Compound Name2,2-dimethylpyran
PubChem CID15446431
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2,2-dimethylpyran
SMILESCC1(C)C=CC=CO1
InChIInChI=1S/C7H10O/c1-7(2)5-3-4-6-8-7/h3-6H,1-2H3
InChIKeyRVXLWVZYQUTJBM-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpyran?
The IUPAC name of 2,2-dimethylpyran (CID 15446431) is 2,2-dimethylpyran.
What is the SMILES notation for 2,2-dimethylpyran?
The canonical SMILES for 2,2-dimethylpyran is CC1(C)C=CC=CO1.
What is the InChIKey of 2,2-dimethylpyran?
The InChIKey is RVXLWVZYQUTJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-7(2)5-3-4-6-8-7/h3-6H,1-2H3.
What are the key properties of 2,2-dimethylpyran?
2,2-dimethylpyran has a molecular weight of 110.16 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyran is sourced from PubChem (CID 15446431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).