6-ethynylnon-3-yne

C11H16 — CID 173201509

IUPAC6-ethynylnon-3-yne
SMILESC#CC(CC#CCC)CCC
InChIInChI=1S/C11H16/c1-4-7-8-10-11(6-3)9-5-2/h3,11H,4-5,9-10H2,1-2H3
InChIKeyQAAHBKHVUFKADU-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.84
Rot. Bonds3

About 6-ethynylnon-3-yne

6-ethynylnon-3-yne (PubChem CID 173201509) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 6-ethynylnon-3-yne.

Molecular Properties

Compound Name6-ethynylnon-3-yne
PubChem CID173201509
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name6-ethynylnon-3-yne
SMILESC#CC(CC#CCC)CCC
InChIInChI=1S/C11H16/c1-4-7-8-10-11(6-3)9-5-2/h3,11H,4-5,9-10H2,1-2H3
InChIKeyQAAHBKHVUFKADU-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethynylnon-3-yne?
The IUPAC name of 6-ethynylnon-3-yne (CID 173201509) is 6-ethynylnon-3-yne.
What is the SMILES notation for 6-ethynylnon-3-yne?
The canonical SMILES for 6-ethynylnon-3-yne is C#CC(CC#CCC)CCC.
What is the InChIKey of 6-ethynylnon-3-yne?
The InChIKey is QAAHBKHVUFKADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-7-8-10-11(6-3)9-5-2/h3,11H,4-5,9-10H2,1-2H3.
What are the key properties of 6-ethynylnon-3-yne?
6-ethynylnon-3-yne has a molecular weight of 148.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynylnon-3-yne is sourced from PubChem (CID 173201509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).