5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

C9H14O — CID 13427507

IUPAC5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
SMILESCC(C)=CC1=CCCOC1
InChIInChI=1S/C9H14O/c1-8(2)6-9-4-3-5-10-7-9/h4,6H,3,5,7H2,1-2H3
InChIKeyGETGMAQEOIZEEE-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds1

About 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran (PubChem CID 13427507) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
PubChem CID13427507
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
SMILESCC(C)=CC1=CCCOC1
InChIInChI=1S/C9H14O/c1-8(2)6-9-4-3-5-10-7-9/h4,6H,3,5,7H2,1-2H3
InChIKeyGETGMAQEOIZEEE-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran (CID 13427507) is 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran is CC(C)=CC1=CCCOC1.
What is the InChIKey of 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is GETGMAQEOIZEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(2)6-9-4-3-5-10-7-9/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 13427507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).