4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran

C11H20O — CID 13025240

IUPAC4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran
SMILESCC1=CC(C)(CC(C)C)OCC1
InChIInChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12-11/h8-9H,5-7H2,1-4H3
InChIKeyHLMIXRXIEMLQRZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran

4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran (PubChem CID 13025240) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran.

Molecular Properties

Compound Name4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran
PubChem CID13025240
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran
SMILESCC1=CC(C)(CC(C)C)OCC1
InChIInChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12-11/h8-9H,5-7H2,1-4H3
InChIKeyHLMIXRXIEMLQRZ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
The IUPAC name of 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran (CID 13025240) is 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran.
What is the SMILES notation for 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
The canonical SMILES for 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran is CC1=CC(C)(CC(C)C)OCC1.
What is the InChIKey of 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
The InChIKey is HLMIXRXIEMLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran?
4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-6-(2-methylpropyl)-2,3-dihydropyran is sourced from PubChem (CID 13025240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).