5-prop-2-enylidenenonane

C12H22 — CID 11457893

IUPAC5-prop-2-enylidenenonane
SMILESC=CC=C(CCCC)CCCC
InChIInChI=1S/C12H22/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,3-5,7-8,10-11H2,1-2H3
InChIKeyFQAQTJQOQXQKJZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About 5-prop-2-enylidenenonane

5-prop-2-enylidenenonane (PubChem CID 11457893) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 5-prop-2-enylidenenonane.

Molecular Properties

Compound Name5-prop-2-enylidenenonane
PubChem CID11457893
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name5-prop-2-enylidenenonane
SMILESC=CC=C(CCCC)CCCC
InChIInChI=1S/C12H22/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,3-5,7-8,10-11H2,1-2H3
InChIKeyFQAQTJQOQXQKJZ-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylidenenonane?
The IUPAC name of 5-prop-2-enylidenenonane (CID 11457893) is 5-prop-2-enylidenenonane.
What is the SMILES notation for 5-prop-2-enylidenenonane?
The canonical SMILES for 5-prop-2-enylidenenonane is C=CC=C(CCCC)CCCC.
What is the InChIKey of 5-prop-2-enylidenenonane?
The InChIKey is FQAQTJQOQXQKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 5-prop-2-enylidenenonane?
5-prop-2-enylidenenonane has a molecular weight of 166.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylidenenonane is sourced from PubChem (CID 11457893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).