2-decyl-3,3-dimethyloxetane

C15H30O — CID 58963657

IUPAC2-decyl-3,3-dimethyloxetane
SMILESCCCCCCCCCCC1OCC1(C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-14-15(2,3)13-16-14/h14H,4-13H2,1-3H3
InChIKeyVYYBVAQOEIKTIB-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.94
Rot. Bonds9

About 2-decyl-3,3-dimethyloxetane

2-decyl-3,3-dimethyloxetane (PubChem CID 58963657) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-decyl-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-decyl-3,3-dimethyloxetane
PubChem CID58963657
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-decyl-3,3-dimethyloxetane
SMILESCCCCCCCCCCC1OCC1(C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-14-15(2,3)13-16-14/h14H,4-13H2,1-3H3
InChIKeyVYYBVAQOEIKTIB-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-decyl-3,3-dimethyloxetane 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-decyl-3,3-dimethyloxetane?
The IUPAC name of 2-decyl-3,3-dimethyloxetane (CID 58963657) is 2-decyl-3,3-dimethyloxetane.
What is the SMILES notation for 2-decyl-3,3-dimethyloxetane?
The canonical SMILES for 2-decyl-3,3-dimethyloxetane is CCCCCCCCCCC1OCC1(C)C.
What is the InChIKey of 2-decyl-3,3-dimethyloxetane?
The InChIKey is VYYBVAQOEIKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-14-15(2,3)13-16-14/h14H,4-13H2,1-3H3.
What are the key properties of 2-decyl-3,3-dimethyloxetane?
2-decyl-3,3-dimethyloxetane has a molecular weight of 226.40 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3,3-dimethyloxetane is sourced from PubChem (CID 58963657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).