(2E,4Z)-undeca-2,4-dien-6-yne

C11H16 — CID 102094475

IUPAC(2E,4Z)-undeca-2,4-dien-6-yne
SMILESC/C=C/C=C\C#CCCCC
InChIInChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3/b5-3+,9-7-
InChIKeyFCQWXQWTJZMLOK-PKWCJPJFSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds3

About (2E,4Z)-undeca-2,4-dien-6-yne

(2E,4Z)-undeca-2,4-dien-6-yne (PubChem CID 102094475) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (2E,4Z)-undeca-2,4-dien-6-yne.

Molecular Properties

Compound Name(2E,4Z)-undeca-2,4-dien-6-yne
PubChem CID102094475
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(2E,4Z)-undeca-2,4-dien-6-yne
SMILESC/C=C/C=C\C#CCCCC
InChIInChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3/b5-3+,9-7-
InChIKeyFCQWXQWTJZMLOK-PKWCJPJFSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-undeca-2,4-dien-6-yne?
The IUPAC name of (2E,4Z)-undeca-2,4-dien-6-yne (CID 102094475) is (2E,4Z)-undeca-2,4-dien-6-yne.
What is the SMILES notation for (2E,4Z)-undeca-2,4-dien-6-yne?
The canonical SMILES for (2E,4Z)-undeca-2,4-dien-6-yne is C/C=C/C=C\C#CCCCC.
What is the InChIKey of (2E,4Z)-undeca-2,4-dien-6-yne?
The InChIKey is FCQWXQWTJZMLOK-PKWCJPJFSA-N. The full InChI is InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3/b5-3+,9-7-.
What are the key properties of (2E,4Z)-undeca-2,4-dien-6-yne?
(2E,4Z)-undeca-2,4-dien-6-yne has a molecular weight of 148.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-undeca-2,4-dien-6-yne is sourced from PubChem (CID 102094475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).