[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane

C16H26 — CID 131749437

IUPAC[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane
SMILESC=C(CC/C=C(\C)CCC=C(C)C)C1CC1
InChIInChI=1S/C16H26/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-16/h7,9,16H,4-6,8,10-12H2,1-3H3/b14-9+
InChIKeyKWJSWFXHRJLFSX-NTEUORMPSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds7

About [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane

[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane (PubChem CID 131749437) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane.

Molecular Properties

Compound Name[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane
PubChem CID131749437
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane
SMILESC=C(CC/C=C(\C)CCC=C(C)C)C1CC1
InChIInChI=1S/C16H26/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-16/h7,9,16H,4-6,8,10-12H2,1-3H3/b14-9+
InChIKeyKWJSWFXHRJLFSX-NTEUORMPSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.43
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 [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane?
The IUPAC name of [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane (CID 131749437) is [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane.
What is the SMILES notation for [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane?
The canonical SMILES for [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane is C=C(CC/C=C(\C)CCC=C(C)C)C1CC1.
What is the InChIKey of [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane?
The InChIKey is KWJSWFXHRJLFSX-NTEUORMPSA-N. The full InChI is InChI=1S/C16H26/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-16/h7,9,16H,4-6,8,10-12H2,1-3H3/b14-9+.
What are the key properties of [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane?
[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane has a molecular weight of 218.38 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane is sourced from PubChem (CID 131749437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).