1-cyclobutyldodecan-1-one

C16H30O — CID 115811550

IUPAC1-cyclobutyldodecan-1-one
SMILESCCCCCCCCCCCC(=O)C1CCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-14-16(17)15-12-11-13-15/h15H,2-14H2,1H3
InChIKeyOHQAENFGJSMHCY-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.28
Rot. Bonds11

About 1-cyclobutyldodecan-1-one

1-cyclobutyldodecan-1-one (PubChem CID 115811550) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-cyclobutyldodecan-1-one.

Molecular Properties

Compound Name1-cyclobutyldodecan-1-one
PubChem CID115811550
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-cyclobutyldodecan-1-one
SMILESCCCCCCCCCCCC(=O)C1CCC1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-14-16(17)15-12-11-13-15/h15H,2-14H2,1H3
InChIKeyOHQAENFGJSMHCY-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.28
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-cyclobutylheptane-1,6-dione
CID 59531069
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CID 171939342
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CID 116547942
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CID 171950099
1-(4-methylcyclohexyl)pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyldodecan-1-one?
The IUPAC name of 1-cyclobutyldodecan-1-one (CID 115811550) is 1-cyclobutyldodecan-1-one.
What is the SMILES notation for 1-cyclobutyldodecan-1-one?
The canonical SMILES for 1-cyclobutyldodecan-1-one is CCCCCCCCCCCC(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyldodecan-1-one?
The InChIKey is OHQAENFGJSMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-14-16(17)15-12-11-13-15/h15H,2-14H2,1H3.
What are the key properties of 1-cyclobutyldodecan-1-one?
1-cyclobutyldodecan-1-one has a molecular weight of 238.41 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyldodecan-1-one is sourced from PubChem (CID 115811550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).