3,3,4,5,6,6-hexamethyl-2H-pyran

C11H20O — CID 122631124

IUPAC3,3,4,5,6,6-hexamethyl-2H-pyran
SMILESCC1=C(C)C(C)(C)OCC1(C)C
InChIInChI=1S/C11H20O/c1-8-9(2)11(5,6)12-7-10(8,3)4/h7H2,1-6H3
InChIKeySNYKPFDPEQHHBX-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds

About 3,3,4,5,6,6-hexamethyl-2H-pyran

3,3,4,5,6,6-hexamethyl-2H-pyran (PubChem CID 122631124) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,3,4,5,6,6-hexamethyl-2H-pyran.

Molecular Properties

Compound Name3,3,4,5,6,6-hexamethyl-2H-pyran
PubChem CID122631124
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,3,4,5,6,6-hexamethyl-2H-pyran
SMILESCC1=C(C)C(C)(C)OCC1(C)C
InChIInChI=1S/C11H20O/c1-8-9(2)11(5,6)12-7-10(8,3)4/h7H2,1-6H3
InChIKeySNYKPFDPEQHHBX-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,6,6-hexamethyl-2H-pyran?
The IUPAC name of 3,3,4,5,6,6-hexamethyl-2H-pyran (CID 122631124) is 3,3,4,5,6,6-hexamethyl-2H-pyran.
What is the SMILES notation for 3,3,4,5,6,6-hexamethyl-2H-pyran?
The canonical SMILES for 3,3,4,5,6,6-hexamethyl-2H-pyran is CC1=C(C)C(C)(C)OCC1(C)C.
What is the InChIKey of 3,3,4,5,6,6-hexamethyl-2H-pyran?
The InChIKey is SNYKPFDPEQHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-9(2)11(5,6)12-7-10(8,3)4/h7H2,1-6H3.
What are the key properties of 3,3,4,5,6,6-hexamethyl-2H-pyran?
3,3,4,5,6,6-hexamethyl-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,6,6-hexamethyl-2H-pyran is sourced from PubChem (CID 122631124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).