dodecylcyclobutane

C16H32 — CID 15801269

IUPACdodecylcyclobutane
SMILESCCCCCCCCCCCCC1CCC1
InChIInChI=1S/C16H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16/h16H,2-15H2,1H3
InChIKeyJTKNPTOGNTVCOT-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.10
Rot. Bonds11

About dodecylcyclobutane

dodecylcyclobutane (PubChem CID 15801269) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is dodecylcyclobutane.

Molecular Properties

Compound Namedodecylcyclobutane
PubChem CID15801269
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Namedodecylcyclobutane
SMILESCCCCCCCCCCCCC1CCC1
InChIInChI=1S/C16H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16/h16H,2-15H2,1H3
InChIKeyJTKNPTOGNTVCOT-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
Farnesane
CID 19773
Isoeicosane
CID 137081
Decylcyclohexane
CID 15713
2-Methylhexadecane
CID 15266
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2-Methylpentadecane
CID 15267
Cyclohexane, tetradecyl-
CID 15715
6-Propyltridecane
CID 521567
2-Methyltricosane
CID 283510

Frequently Asked Questions

What is the IUPAC name of dodecylcyclobutane?
The IUPAC name of dodecylcyclobutane (CID 15801269) is dodecylcyclobutane.
What is the SMILES notation for dodecylcyclobutane?
The canonical SMILES for dodecylcyclobutane is CCCCCCCCCCCCC1CCC1.
What is the InChIKey of dodecylcyclobutane?
The InChIKey is JTKNPTOGNTVCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16/h16H,2-15H2,1H3.
What are the key properties of dodecylcyclobutane?
dodecylcyclobutane has a molecular weight of 224.43 g/mol, XLogP of 6.10, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylcyclobutane is sourced from PubChem (CID 15801269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).