4-ethynyl-5-methylideneocta-1,7-diyne

C11H10 — CID 53381528

IUPAC4-ethynyl-5-methylideneocta-1,7-diyne
SMILESC#CCC(=C)C(C#C)CC#C
InChIInChI=1S/C11H10/c1-5-8-10(4)11(7-3)9-6-2/h1-3,11H,4,8-9H2
InChIKeyQVDOLWQTRGETRZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.84
Rot. Bonds3

About 4-ethynyl-5-methylideneocta-1,7-diyne

4-ethynyl-5-methylideneocta-1,7-diyne (PubChem CID 53381528) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-ethynyl-5-methylideneocta-1,7-diyne.

Molecular Properties

Compound Name4-ethynyl-5-methylideneocta-1,7-diyne
PubChem CID53381528
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name4-ethynyl-5-methylideneocta-1,7-diyne
SMILESC#CCC(=C)C(C#C)CC#C
InChIInChI=1S/C11H10/c1-5-8-10(4)11(7-3)9-6-2/h1-3,11H,4,8-9H2
InChIKeyQVDOLWQTRGETRZ-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-5-methylideneocta-1,7-diyne?
The IUPAC name of 4-ethynyl-5-methylideneocta-1,7-diyne (CID 53381528) is 4-ethynyl-5-methylideneocta-1,7-diyne.
What is the SMILES notation for 4-ethynyl-5-methylideneocta-1,7-diyne?
The canonical SMILES for 4-ethynyl-5-methylideneocta-1,7-diyne is C#CCC(=C)C(C#C)CC#C.
What is the InChIKey of 4-ethynyl-5-methylideneocta-1,7-diyne?
The InChIKey is QVDOLWQTRGETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-5-8-10(4)11(7-3)9-6-2/h1-3,11H,4,8-9H2.
What are the key properties of 4-ethynyl-5-methylideneocta-1,7-diyne?
4-ethynyl-5-methylideneocta-1,7-diyne has a molecular weight of 142.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-5-methylideneocta-1,7-diyne is sourced from PubChem (CID 53381528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).