cyclopropane;octadecane

C21H44 — CID 174865519

IUPACcyclopropane;octadecane
SMILESC1CC1.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C3H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2-3-1/h3-18H2,1-2H3;1-3H2
InChIKeyBCWLKLOUCCTULG-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.44
Rot. Bonds15

About cyclopropane;octadecane

cyclopropane;octadecane (PubChem CID 174865519) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is cyclopropane;octadecane.

Molecular Properties

Compound Namecyclopropane;octadecane
PubChem CID174865519
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Namecyclopropane;octadecane
SMILESC1CC1.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C3H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2-3-1/h3-18H2,1-2H3;1-3H2
InChIKeyBCWLKLOUCCTULG-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.44
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

cyclopropane;icosane
CID 162221728
cyclobutane;ethane;hexane
CID 143857678
alumane;cyclohexane;hexane
CID 175455201
butane;cyclooctane;molecular iodine;nonane
CID 162136863
cyclobutane;ethane;hexane;propane
CID 142383161
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of cyclopropane;octadecane?
The IUPAC name of cyclopropane;octadecane (CID 174865519) is cyclopropane;octadecane.
What is the SMILES notation for cyclopropane;octadecane?
The canonical SMILES for cyclopropane;octadecane is C1CC1.CCCCCCCCCCCCCCCCCC.
What is the InChIKey of cyclopropane;octadecane?
The InChIKey is BCWLKLOUCCTULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C3H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2-3-1/h3-18H2,1-2H3;1-3H2.
What are the key properties of cyclopropane;octadecane?
cyclopropane;octadecane has a molecular weight of 296.58 g/mol, XLogP of 8.44, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;octadecane is sourced from PubChem (CID 174865519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).