hexadecylcyclobutane

C20H40 — CID 18436600

IUPAChexadecylcyclobutane
SMILESCCCCCCCCCCCCCCCCC1CCC1
InChIInChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-20/h20H,2-19H2,1H3
InChIKeyAVSUARRBYGLKFB-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.66
Rot. Bonds15

About hexadecylcyclobutane

hexadecylcyclobutane (PubChem CID 18436600) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is hexadecylcyclobutane.

Molecular Properties

Compound Namehexadecylcyclobutane
PubChem CID18436600
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Namehexadecylcyclobutane
SMILESCCCCCCCCCCCCCCCCC1CCC1
InChIInChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-20/h20H,2-19H2,1H3
InChIKeyAVSUARRBYGLKFB-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.66
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 hexadecylcyclobutane?
The IUPAC name of hexadecylcyclobutane (CID 18436600) is hexadecylcyclobutane.
What is the SMILES notation for hexadecylcyclobutane?
The canonical SMILES for hexadecylcyclobutane is CCCCCCCCCCCCCCCCC1CCC1.
What is the InChIKey of hexadecylcyclobutane?
The InChIKey is AVSUARRBYGLKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-20/h20H,2-19H2,1H3.
What are the key properties of hexadecylcyclobutane?
hexadecylcyclobutane has a molecular weight of 280.54 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecylcyclobutane is sourced from PubChem (CID 18436600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).