2-(2-deuteriodecyl)-2H-pyran

C15H26O — CID 140987710

IUPAC2-(2-deuteriodecyl)-2H-pyran
SMILES[2H]C(CCCCCCCC)CC1C=CC=CO1
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16-15/h10-11,13-15H,2-9,12H2,1H3/i9D
InChIKeyYNYGYCIMWGIRRE-QOWOAITPSA-N
MW223.38 g/mol
LogP4.99
Rot. Bonds9

About 2-(2-deuteriodecyl)-2H-pyran

2-(2-deuteriodecyl)-2H-pyran (PubChem CID 140987710) has the molecular formula C15H26O and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-(2-deuteriodecyl)-2H-pyran.

Molecular Properties

Compound Name2-(2-deuteriodecyl)-2H-pyran
PubChem CID140987710
Molecular FormulaC15H26O
Molecular Weight223.38 g/mol
Exact Mass223.20
IUPAC Name2-(2-deuteriodecyl)-2H-pyran
SMILES[2H]C(CCCCCCCC)CC1C=CC=CO1
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16-15/h10-11,13-15H,2-9,12H2,1H3/i9D
InChIKeyYNYGYCIMWGIRRE-QOWOAITPSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-deuteriodecyl)-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 2-(2-deuteriodecyl)-2H-pyran?
The IUPAC name of 2-(2-deuteriodecyl)-2H-pyran (CID 140987710) is 2-(2-deuteriodecyl)-2H-pyran.
What is the SMILES notation for 2-(2-deuteriodecyl)-2H-pyran?
The canonical SMILES for 2-(2-deuteriodecyl)-2H-pyran is [2H]C(CCCCCCCC)CC1C=CC=CO1.
What is the InChIKey of 2-(2-deuteriodecyl)-2H-pyran?
The InChIKey is YNYGYCIMWGIRRE-QOWOAITPSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16-15/h10-11,13-15H,2-9,12H2,1H3/i9D.
What are the key properties of 2-(2-deuteriodecyl)-2H-pyran?
2-(2-deuteriodecyl)-2H-pyran has a molecular weight of 223.38 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuteriodecyl)-2H-pyran is sourced from PubChem (CID 140987710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).