4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran

C15H26O — CID 11020500

IUPAC4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(CCCC)CCOC1C(C)C
InChIInChI=1S/C15H26O/c1-5-7-9-13-10-11-16-15(12(3)4)14(13)8-6-2/h6,12,15H,2,5,7-11H2,1,3-4H3
InChIKeyPJGLMMNRUVFKNI-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.49
Rot. Bonds6

About 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran

4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 11020500) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID11020500
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(CCCC)CCOC1C(C)C
InChIInChI=1S/C15H26O/c1-5-7-9-13-10-11-16-15(12(3)4)14(13)8-6-2/h6,12,15H,2,5,7-11H2,1,3-4H3
InChIKeyPJGLMMNRUVFKNI-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-butyl-6-propan-2-yl-5-prop-2-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 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran (CID 11020500) is 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran is C=CCC1=C(CCCC)CCOC1C(C)C.
What is the InChIKey of 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is PJGLMMNRUVFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-5-7-9-13-10-11-16-15(12(3)4)14(13)8-6-2/h6,12,15H,2,5,7-11H2,1,3-4H3.
What are the key properties of 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 222.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11020500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).