5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene

C20H36 — CID 143525148

IUPAC5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene
SMILESC=CC.CCC.CCCCC(CCCC)=C1C=CC=C1
InChIInChI=1S/C14H22.C3H8.C3H6/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-14;2*1-3-2/h7-8,11-12H,3-6,9-10H2,1-2H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyFLBDVQCUABMZHR-UHFFFAOYSA-N
MW276.51 g/mol
LogP7.40
Rot. Bonds6

About 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene

5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene (PubChem CID 143525148) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene.

Molecular Properties

Compound Name5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene
PubChem CID143525148
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene
SMILESC=CC.CCC.CCCCC(CCCC)=C1C=CC=C1
InChIInChI=1S/C14H22.C3H8.C3H6/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-14;2*1-3-2/h7-8,11-12H,3-6,9-10H2,1-2H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyFLBDVQCUABMZHR-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene?
The IUPAC name of 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene (CID 143525148) is 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene.
What is the SMILES notation for 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene?
The canonical SMILES for 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene is C=CC.CCC.CCCCC(CCCC)=C1C=CC=C1.
What is the InChIKey of 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene?
The InChIKey is FLBDVQCUABMZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C3H8.C3H6/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-14;2*1-3-2/h7-8,11-12H,3-6,9-10H2,1-2H3;3H2,1-2H3;3H,1H2,2H3.
What are the key properties of 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene?
5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene has a molecular weight of 276.51 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene is sourced from PubChem (CID 143525148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).