5-methyl-6-pentadecan-4-yl-2H-pyran

C21H38O — CID 143716451

IUPAC5-methyl-6-pentadecan-4-yl-2H-pyran
SMILESCCCCCCCCCCCC(CCC)C1=C(C)C=CCO1
InChIInChI=1S/C21H38O/c1-4-6-7-8-9-10-11-12-13-17-20(15-5-2)21-19(3)16-14-18-22-21/h14,16,20H,4-13,15,17-18H2,1-3H3
InChIKeyYZRNCWDHICHZSM-UHFFFAOYSA-N
MW306.53 g/mol
LogP7.18
Rot. Bonds13

About 5-methyl-6-pentadecan-4-yl-2H-pyran

5-methyl-6-pentadecan-4-yl-2H-pyran (PubChem CID 143716451) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 5-methyl-6-pentadecan-4-yl-2H-pyran.

Molecular Properties

Compound Name5-methyl-6-pentadecan-4-yl-2H-pyran
PubChem CID143716451
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name5-methyl-6-pentadecan-4-yl-2H-pyran
SMILESCCCCCCCCCCCC(CCC)C1=C(C)C=CCO1
InChIInChI=1S/C21H38O/c1-4-6-7-8-9-10-11-12-13-17-20(15-5-2)21-19(3)16-14-18-22-21/h14,16,20H,4-13,15,17-18H2,1-3H3
InChIKeyYZRNCWDHICHZSM-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-6-pentadecan-4-yl-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-methyl-6-pentadecan-4-yl-2H-pyran?
The IUPAC name of 5-methyl-6-pentadecan-4-yl-2H-pyran (CID 143716451) is 5-methyl-6-pentadecan-4-yl-2H-pyran.
What is the SMILES notation for 5-methyl-6-pentadecan-4-yl-2H-pyran?
The canonical SMILES for 5-methyl-6-pentadecan-4-yl-2H-pyran is CCCCCCCCCCCC(CCC)C1=C(C)C=CCO1.
What is the InChIKey of 5-methyl-6-pentadecan-4-yl-2H-pyran?
The InChIKey is YZRNCWDHICHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O/c1-4-6-7-8-9-10-11-12-13-17-20(15-5-2)21-19(3)16-14-18-22-21/h14,16,20H,4-13,15,17-18H2,1-3H3.
What are the key properties of 5-methyl-6-pentadecan-4-yl-2H-pyran?
5-methyl-6-pentadecan-4-yl-2H-pyran has a molecular weight of 306.53 g/mol, XLogP of 7.18, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pentadecan-4-yl-2H-pyran is sourced from PubChem (CID 143716451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).