2,2,3,3,4,4,5-heptamethylpyran

C12H22O — CID 20826706

IUPAC2,2,3,3,4,4,5-heptamethylpyran
SMILESCC1=COC(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H22O/c1-9-8-13-12(6,7)11(4,5)10(9,2)3/h8H,1-7H3
InChIKeyVFBWVECQVUXXBO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds

About 2,2,3,3,4,4,5-heptamethylpyran

2,2,3,3,4,4,5-heptamethylpyran (PubChem CID 20826706) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptamethylpyran.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptamethylpyran
PubChem CID20826706
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,2,3,3,4,4,5-heptamethylpyran
SMILESCC1=COC(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H22O/c1-9-8-13-12(6,7)11(4,5)10(9,2)3/h8H,1-7H3
InChIKeyVFBWVECQVUXXBO-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 2,2,3,3,4,4,5-heptamethylpyran?
The IUPAC name of 2,2,3,3,4,4,5-heptamethylpyran (CID 20826706) is 2,2,3,3,4,4,5-heptamethylpyran.
What is the SMILES notation for 2,2,3,3,4,4,5-heptamethylpyran?
The canonical SMILES for 2,2,3,3,4,4,5-heptamethylpyran is CC1=COC(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4,5-heptamethylpyran?
The InChIKey is VFBWVECQVUXXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9-8-13-12(6,7)11(4,5)10(9,2)3/h8H,1-7H3.
What are the key properties of 2,2,3,3,4,4,5-heptamethylpyran?
2,2,3,3,4,4,5-heptamethylpyran has a molecular weight of 182.31 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptamethylpyran is sourced from PubChem (CID 20826706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).