nonan-2-ylidenecyclopropane

C12H22 — CID 11446546

IUPACnonan-2-ylidenecyclopropane
SMILESCCCCCCCC(C)=C1CC1
InChIInChI=1S/C12H22/c1-3-4-5-6-7-8-11(2)12-9-10-12/h3-10H2,1-2H3
InChIKeyXKSBLQSNQQHURW-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.46
Rot. Bonds6

About nonan-2-ylidenecyclopropane

nonan-2-ylidenecyclopropane (PubChem CID 11446546) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is nonan-2-ylidenecyclopropane.

Molecular Properties

Compound Namenonan-2-ylidenecyclopropane
PubChem CID11446546
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namenonan-2-ylidenecyclopropane
SMILESCCCCCCCC(C)=C1CC1
InChIInChI=1S/C12H22/c1-3-4-5-6-7-8-11(2)12-9-10-12/h3-10H2,1-2H3
InChIKeyXKSBLQSNQQHURW-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.46
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

heptan-2-ylidenecyclopropane
CID 123254975
undecan-2-ylidenecyclobutane
CID 123541607
N-butyl-9-cyclopropylidene-N-methyldecan-1-amine
CID 168880713
dodecan-5-ylidenecyclopropane
CID 134896338
8,9-dimethylhexadec-8-ene
CID 140717938
9,10-dioctyloctadec-9-ene
CID 10814462
3-octan-2-ylidene-5-sulfanylidenepyrrolidin-2-one
CID 90896354
N-acetyl-N-methyltetradecanamide
CID 54508567
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
2-methyltetradec-1-ene
CID 521375
decan-2-one
CID 12741

Frequently Asked Questions

What is the IUPAC name of nonan-2-ylidenecyclopropane?
The IUPAC name of nonan-2-ylidenecyclopropane (CID 11446546) is nonan-2-ylidenecyclopropane.
What is the SMILES notation for nonan-2-ylidenecyclopropane?
The canonical SMILES for nonan-2-ylidenecyclopropane is CCCCCCCC(C)=C1CC1.
What is the InChIKey of nonan-2-ylidenecyclopropane?
The InChIKey is XKSBLQSNQQHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-4-5-6-7-8-11(2)12-9-10-12/h3-10H2,1-2H3.
What are the key properties of nonan-2-ylidenecyclopropane?
nonan-2-ylidenecyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-ylidenecyclopropane is sourced from PubChem (CID 11446546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).