dodecan-5-ylidenecyclopropane

C15H28 — CID 134896338

IUPACdodecan-5-ylidenecyclopropane
SMILESCCCCCCCC(CCCC)=C1CC1
InChIInChI=1S/C15H28/c1-3-5-7-8-9-11-14(10-6-4-2)15-12-13-15/h3-13H2,1-2H3
InChIKeyAIERIVYGFRNGTI-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.63
Rot. Bonds9

About dodecan-5-ylidenecyclopropane

dodecan-5-ylidenecyclopropane (PubChem CID 134896338) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is dodecan-5-ylidenecyclopropane.

Molecular Properties

Compound Namedodecan-5-ylidenecyclopropane
PubChem CID134896338
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Namedodecan-5-ylidenecyclopropane
SMILESCCCCCCCC(CCCC)=C1CC1
InChIInChI=1S/C15H28/c1-3-5-7-8-9-11-14(10-6-4-2)15-12-13-15/h3-13H2,1-2H3
InChIKeyAIERIVYGFRNGTI-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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
undecan-2-ylidenecyclobutane
CID 123541607
(3Z)-3-undecan-5-ylideneoxolan-2-one
CID 100912398
5,6-dibutyltetradec-5-ene
CID 19866346
9,10-dioctyloctadec-9-ene
CID 10814462
dodecan-5-one
CID 29771
N-butyl-9-cyclopropylidene-N-methyldecan-1-amine
CID 168880713
methanol;undecane
CID 161373911
8,9-dimethylhexadec-8-ene
CID 140717938
benzene-1,2,3,4,5,6-hexol;pentakis(octadecanoic acid)
CID 160555816
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of dodecan-5-ylidenecyclopropane?
The IUPAC name of dodecan-5-ylidenecyclopropane (CID 134896338) is dodecan-5-ylidenecyclopropane.
What is the SMILES notation for dodecan-5-ylidenecyclopropane?
The canonical SMILES for dodecan-5-ylidenecyclopropane is CCCCCCCC(CCCC)=C1CC1.
What is the InChIKey of dodecan-5-ylidenecyclopropane?
The InChIKey is AIERIVYGFRNGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-5-7-8-9-11-14(10-6-4-2)15-12-13-15/h3-13H2,1-2H3.
What are the key properties of dodecan-5-ylidenecyclopropane?
dodecan-5-ylidenecyclopropane has a molecular weight of 208.39 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-5-ylidenecyclopropane is sourced from PubChem (CID 134896338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).