4-methyl-6,6-dipropyl-2,5-dihydropyran

C12H22O — CID 102376466

IUPAC4-methyl-6,6-dipropyl-2,5-dihydropyran
SMILESCCCC1(CCC)CC(C)=CCO1
InChIInChI=1S/C12H22O/c1-4-7-12(8-5-2)10-11(3)6-9-13-12/h6H,4-5,7-10H2,1-3H3
InChIKeyPSBWSGCXCNPMGH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds4

About 4-methyl-6,6-dipropyl-2,5-dihydropyran

4-methyl-6,6-dipropyl-2,5-dihydropyran (PubChem CID 102376466) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-6,6-dipropyl-2,5-dihydropyran.

Molecular Properties

Compound Name4-methyl-6,6-dipropyl-2,5-dihydropyran
PubChem CID102376466
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methyl-6,6-dipropyl-2,5-dihydropyran
SMILESCCCC1(CCC)CC(C)=CCO1
InChIInChI=1S/C12H22O/c1-4-7-12(8-5-2)10-11(3)6-9-13-12/h6H,4-5,7-10H2,1-3H3
InChIKeyPSBWSGCXCNPMGH-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-6,6-dipropyl-2,5-dihydropyran 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 4-methyl-6,6-dipropyl-2,5-dihydropyran?
The IUPAC name of 4-methyl-6,6-dipropyl-2,5-dihydropyran (CID 102376466) is 4-methyl-6,6-dipropyl-2,5-dihydropyran.
What is the SMILES notation for 4-methyl-6,6-dipropyl-2,5-dihydropyran?
The canonical SMILES for 4-methyl-6,6-dipropyl-2,5-dihydropyran is CCCC1(CCC)CC(C)=CCO1.
What is the InChIKey of 4-methyl-6,6-dipropyl-2,5-dihydropyran?
The InChIKey is PSBWSGCXCNPMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-7-12(8-5-2)10-11(3)6-9-13-12/h6H,4-5,7-10H2,1-3H3.
What are the key properties of 4-methyl-6,6-dipropyl-2,5-dihydropyran?
4-methyl-6,6-dipropyl-2,5-dihydropyran has a molecular weight of 182.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,6-dipropyl-2,5-dihydropyran is sourced from PubChem (CID 102376466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).