undecan-2-ylidenecyclobutane

C15H28 — CID 123541607

IUPACundecan-2-ylidenecyclobutane
SMILESCCCCCCCCCC(C)=C1CCC1
InChIInChI=1S/C15H28/c1-3-4-5-6-7-8-9-11-14(2)15-12-10-13-15/h3-13H2,1-2H3
InChIKeyITEKVUSACJTGTE-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.63
Rot. Bonds8

About undecan-2-ylidenecyclobutane

undecan-2-ylidenecyclobutane (PubChem CID 123541607) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is undecan-2-ylidenecyclobutane.

Molecular Properties

Compound Nameundecan-2-ylidenecyclobutane
PubChem CID123541607
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Nameundecan-2-ylidenecyclobutane
SMILESCCCCCCCCCC(C)=C1CCC1
InChIInChI=1S/C15H28/c1-3-4-5-6-7-8-9-11-14(2)15-12-10-13-15/h3-13H2,1-2H3
InChIKeyITEKVUSACJTGTE-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

nonan-2-ylidenecyclopropane
CID 11446546
heptan-2-ylidenecyclopropane
CID 123254975
N-butyl-9-cyclopropylidene-N-methyldecan-1-amine
CID 168880713
1-butan-2-yl-3-[7-(3-butan-2-ylphenyl)-4-methyloctan-2-yl]benzene;ethane;nonan-2-ylidenecyclobutane
CID 156747032
dodecan-5-ylidenecyclopropane
CID 134896338
cyclobutanone;undecanoic acid
CID 53445946
8,9-dimethylhexadec-8-ene
CID 140717938
1-cyclohexylidenetetradecan-2-one
CID 103457909
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
3-methylheptan-2-ylidenecyclobutane
CID 123717817
cyclohexane;heptan-2-one
CID 159731064

Frequently Asked Questions

What is the IUPAC name of undecan-2-ylidenecyclobutane?
The IUPAC name of undecan-2-ylidenecyclobutane (CID 123541607) is undecan-2-ylidenecyclobutane.
What is the SMILES notation for undecan-2-ylidenecyclobutane?
The canonical SMILES for undecan-2-ylidenecyclobutane is CCCCCCCCCC(C)=C1CCC1.
What is the InChIKey of undecan-2-ylidenecyclobutane?
The InChIKey is ITEKVUSACJTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-4-5-6-7-8-9-11-14(2)15-12-10-13-15/h3-13H2,1-2H3.
What are the key properties of undecan-2-ylidenecyclobutane?
undecan-2-ylidenecyclobutane has a molecular weight of 208.39 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecan-2-ylidenecyclobutane is sourced from PubChem (CID 123541607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).