3,6-dimethyl-3,6-dihydro-2H-pyran

C14H24O2 — CID 161336544

IUPAC3,6-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1C=CC(C)OC1.CC1C=CC(C)OC1
InChIInChI=1S/2C7H12O/c2*1-6-3-4-7(2)8-5-6/h2*3-4,6-7H,5H2,1-2H3
InChIKeyVMCKIYUMCDEUIK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.19
Rot. Bonds

About 3,6-dimethyl-3,6-dihydro-2H-pyran

3,6-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 161336544) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3,6-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3,6-dimethyl-3,6-dihydro-2H-pyran
PubChem CID161336544
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3,6-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1C=CC(C)OC1.CC1C=CC(C)OC1
InChIInChI=1S/2C7H12O/c2*1-6-3-4-7(2)8-5-6/h2*3-4,6-7H,5H2,1-2H3
InChIKeyVMCKIYUMCDEUIK-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,6-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 3,6-dimethyl-3,6-dihydro-2H-pyran (CID 161336544) is 3,6-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3,6-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 3,6-dimethyl-3,6-dihydro-2H-pyran is CC1C=CC(C)OC1.CC1C=CC(C)OC1.
What is the InChIKey of 3,6-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is VMCKIYUMCDEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O/c2*1-6-3-4-7(2)8-5-6/h2*3-4,6-7H,5H2,1-2H3.
What are the key properties of 3,6-dimethyl-3,6-dihydro-2H-pyran?
3,6-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 224.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 161336544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).