4-methyl-2-(2-methylprop-1-enyl)-2H-pyran

C10H14O — CID 22402178

IUPAC4-methyl-2-(2-methylprop-1-enyl)-2H-pyran
SMILESCC(C)=CC1C=C(C)C=CO1
InChIInChI=1S/C10H14O/c1-8(2)6-10-7-9(3)4-5-11-10/h4-7,10H,1-3H3
InChIKeyXBKCADMLUYGGQE-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.81
Rot. Bonds1

About 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran

4-methyl-2-(2-methylprop-1-enyl)-2H-pyran (PubChem CID 22402178) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran.

Molecular Properties

Compound Name4-methyl-2-(2-methylprop-1-enyl)-2H-pyran
PubChem CID22402178
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-methyl-2-(2-methylprop-1-enyl)-2H-pyran
SMILESCC(C)=CC1C=C(C)C=CO1
InChIInChI=1S/C10H14O/c1-8(2)6-10-7-9(3)4-5-11-10/h4-7,10H,1-3H3
InChIKeyXBKCADMLUYGGQE-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.81
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-methyl-2-(2-methylprop-1-enyl)-2H-pyran?
The IUPAC name of 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran (CID 22402178) is 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran.
What is the SMILES notation for 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran?
The canonical SMILES for 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran is CC(C)=CC1C=C(C)C=CO1.
What is the InChIKey of 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran?
The InChIKey is XBKCADMLUYGGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8(2)6-10-7-9(3)4-5-11-10/h4-7,10H,1-3H3.
What are the key properties of 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran?
4-methyl-2-(2-methylprop-1-enyl)-2H-pyran has a molecular weight of 150.22 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylprop-1-enyl)-2H-pyran is sourced from PubChem (CID 22402178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).