3-(5-methyldodecan-5-yl)oxetane

C16H32O — CID 130337165

IUPAC3-(5-methyldodecan-5-yl)oxetane
SMILESCCCCCCCC(C)(CCCC)C1COC1
InChIInChI=1S/C16H32O/c1-4-6-8-9-10-12-16(3,11-7-5-2)15-13-17-14-15/h15H,4-14H2,1-3H3
InChIKeyNJOBFIRUPQECSF-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.19
Rot. Bonds10

About 3-(5-methyldodecan-5-yl)oxetane

3-(5-methyldodecan-5-yl)oxetane (PubChem CID 130337165) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-(5-methyldodecan-5-yl)oxetane.

Molecular Properties

Compound Name3-(5-methyldodecan-5-yl)oxetane
PubChem CID130337165
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name3-(5-methyldodecan-5-yl)oxetane
SMILESCCCCCCCC(C)(CCCC)C1COC1
InChIInChI=1S/C16H32O/c1-4-6-8-9-10-12-16(3,11-7-5-2)15-13-17-14-15/h15H,4-14H2,1-3H3
InChIKeyNJOBFIRUPQECSF-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
3-(5-methyldodecan-5-yl)piperidine
CID 170226915
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
CID 134420427
(1-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
2-butyl-2-methyl-N-(oxetan-3-yl)octanamide
CID 166929459
(1-bromo-2-methylheptan-2-yl)cyclopropane
CID 83150476
5-butyl-5-methylpentadecane
CID 174700907
5,5,6,6-tetramethyltridecane
CID 173349107
2-methyldodecan-2-ol
CID 547702
7-methylhexadecan-7-ylsilane
CID 173411878
2-iodo-2-methylnonane
CID 12714355

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyldodecan-5-yl)oxetane?
The IUPAC name of 3-(5-methyldodecan-5-yl)oxetane (CID 130337165) is 3-(5-methyldodecan-5-yl)oxetane.
What is the SMILES notation for 3-(5-methyldodecan-5-yl)oxetane?
The canonical SMILES for 3-(5-methyldodecan-5-yl)oxetane is CCCCCCCC(C)(CCCC)C1COC1.
What is the InChIKey of 3-(5-methyldodecan-5-yl)oxetane?
The InChIKey is NJOBFIRUPQECSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-6-8-9-10-12-16(3,11-7-5-2)15-13-17-14-15/h15H,4-14H2,1-3H3.
What are the key properties of 3-(5-methyldodecan-5-yl)oxetane?
3-(5-methyldodecan-5-yl)oxetane has a molecular weight of 240.43 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyldodecan-5-yl)oxetane is sourced from PubChem (CID 130337165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).