undeca-5,6-diene

C11H20 — CID 543137

IUPACundeca-5,6-diene
SMILESCCCCC=C=CCCCC
InChIInChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyOQQGYZZPAZFAIA-UHFFFAOYSA-N
MW152.28 g/mol
LogP4.08
Rot. Bonds6

About undeca-5,6-diene

undeca-5,6-diene (PubChem CID 543137) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is undeca-5,6-diene.

Molecular Properties

Compound Nameundeca-5,6-diene
PubChem CID543137
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Nameundeca-5,6-diene
SMILESCCCCC=C=CCCCC
InChIInChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyOQQGYZZPAZFAIA-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undeca-5,6-diene?
The IUPAC name of undeca-5,6-diene (CID 543137) is undeca-5,6-diene.
What is the SMILES notation for undeca-5,6-diene?
The canonical SMILES for undeca-5,6-diene is CCCCC=C=CCCCC.
What is the InChIKey of undeca-5,6-diene?
The InChIKey is OQQGYZZPAZFAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of undeca-5,6-diene?
undeca-5,6-diene has a molecular weight of 152.28 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-5,6-diene is sourced from PubChem (CID 543137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).