(E)-tridec-4-en-6-yne

C13H22 — CID 5367374

IUPAC(E)-tridec-4-en-6-yne
SMILESCCC/C=C/C#CCCCCCC
InChIInChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10,12H2,1-2H3/b9-7+
InChIKeyNPZMKXJJWSFOQL-VQHVLOKHSA-N
MW178.32 g/mol
LogP4.32
Rot. Bonds6

About (E)-tridec-4-en-6-yne

(E)-tridec-4-en-6-yne (PubChem CID 5367374) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (E)-tridec-4-en-6-yne.

Molecular Properties

Compound Name(E)-tridec-4-en-6-yne
PubChem CID5367374
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(E)-tridec-4-en-6-yne
SMILESCCC/C=C/C#CCCCCCC
InChIInChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10,12H2,1-2H3/b9-7+
InChIKeyNPZMKXJJWSFOQL-VQHVLOKHSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-tridec-4-en-6-yne?
The IUPAC name of (E)-tridec-4-en-6-yne (CID 5367374) is (E)-tridec-4-en-6-yne.
What is the SMILES notation for (E)-tridec-4-en-6-yne?
The canonical SMILES for (E)-tridec-4-en-6-yne is CCC/C=C/C#CCCCCCC.
What is the InChIKey of (E)-tridec-4-en-6-yne?
The InChIKey is NPZMKXJJWSFOQL-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10,12H2,1-2H3/b9-7+.
What are the key properties of (E)-tridec-4-en-6-yne?
(E)-tridec-4-en-6-yne has a molecular weight of 178.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tridec-4-en-6-yne is sourced from PubChem (CID 5367374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).