2,2-dimethoxy-3,3,6-trimethyl-4H-pyran

C10H18O3 — CID 12679192

IUPAC2,2-dimethoxy-3,3,6-trimethyl-4H-pyran
SMILESCOC1(OC)OC(C)=CCC1(C)C
InChIInChI=1S/C10H18O3/c1-8-6-7-9(2,3)10(11-4,12-5)13-8/h6H,7H2,1-5H3
InChIKeyWWPIXUIEEAUKJF-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.28
Rot. Bonds2

About 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran

2,2-dimethoxy-3,3,6-trimethyl-4H-pyran (PubChem CID 12679192) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran.

Molecular Properties

Compound Name2,2-dimethoxy-3,3,6-trimethyl-4H-pyran
PubChem CID12679192
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2-dimethoxy-3,3,6-trimethyl-4H-pyran
SMILESCOC1(OC)OC(C)=CCC1(C)C
InChIInChI=1S/C10H18O3/c1-8-6-7-9(2,3)10(11-4,12-5)13-8/h6H,7H2,1-5H3
InChIKeyWWPIXUIEEAUKJF-UHFFFAOYSA-N
XLogP2.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran?
The IUPAC name of 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran (CID 12679192) is 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran.
What is the SMILES notation for 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran?
The canonical SMILES for 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran is COC1(OC)OC(C)=CCC1(C)C.
What is the InChIKey of 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran?
The InChIKey is WWPIXUIEEAUKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8-6-7-9(2,3)10(11-4,12-5)13-8/h6H,7H2,1-5H3.
What are the key properties of 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran?
2,2-dimethoxy-3,3,6-trimethyl-4H-pyran has a molecular weight of 186.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-3,3,6-trimethyl-4H-pyran is sourced from PubChem (CID 12679192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).