nona-5,6-dien-1-yne

C9H12 — CID 123395060

IUPACnona-5,6-dien-1-yne
SMILESC#CCCC=C=CCC
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1,6,9H,4-5,7H2,2H3
InChIKeyFKTZFIFFBPIVES-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.52
Rot. Bonds3

About nona-5,6-dien-1-yne

nona-5,6-dien-1-yne (PubChem CID 123395060) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is nona-5,6-dien-1-yne.

Molecular Properties

Compound Namenona-5,6-dien-1-yne
PubChem CID123395060
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Namenona-5,6-dien-1-yne
SMILESC#CCCC=C=CCC
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1,6,9H,4-5,7H2,2H3
InChIKeyFKTZFIFFBPIVES-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.52
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 nona-5,6-dien-1-yne?
The IUPAC name of nona-5,6-dien-1-yne (CID 123395060) is nona-5,6-dien-1-yne.
What is the SMILES notation for nona-5,6-dien-1-yne?
The canonical SMILES for nona-5,6-dien-1-yne is C#CCCC=C=CCC.
What is the InChIKey of nona-5,6-dien-1-yne?
The InChIKey is FKTZFIFFBPIVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1,6,9H,4-5,7H2,2H3.
What are the key properties of nona-5,6-dien-1-yne?
nona-5,6-dien-1-yne has a molecular weight of 120.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-5,6-dien-1-yne is sourced from PubChem (CID 123395060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).