3-tridecan-7-yloxetane

C16H32O — CID 130235812

IUPAC3-tridecan-7-yloxetane
SMILESCCCCCCC(CCCCCC)C1COC1
InChIInChI=1S/C16H32O/c1-3-5-7-9-11-15(16-13-17-14-16)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyISKOHIAGJVWFAW-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.19
Rot. Bonds11

About 3-tridecan-7-yloxetane

3-tridecan-7-yloxetane (PubChem CID 130235812) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-tridecan-7-yloxetane.

Molecular Properties

Compound Name3-tridecan-7-yloxetane
PubChem CID130235812
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name3-tridecan-7-yloxetane
SMILESCCCCCCC(CCCCCC)C1COC1
InChIInChI=1S/C16H32O/c1-3-5-7-9-11-15(16-13-17-14-16)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyISKOHIAGJVWFAW-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
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

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1-methyl-3-tridecan-7-ylpyrrolidine
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1-methyl-3-tetradecan-7-ylpyrrolidine
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1-chlorododecan-2-ylcyclopentane
CID 112570395
2-cyclopentyloctan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-tridecan-7-yloxetane?
The IUPAC name of 3-tridecan-7-yloxetane (CID 130235812) is 3-tridecan-7-yloxetane.
What is the SMILES notation for 3-tridecan-7-yloxetane?
The canonical SMILES for 3-tridecan-7-yloxetane is CCCCCCC(CCCCCC)C1COC1.
What is the InChIKey of 3-tridecan-7-yloxetane?
The InChIKey is ISKOHIAGJVWFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-3-5-7-9-11-15(16-13-17-14-16)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-tridecan-7-yloxetane?
3-tridecan-7-yloxetane has a molecular weight of 240.43 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecan-7-yloxetane is sourced from PubChem (CID 130235812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).