non-1-yne

C9H16 — CID 18937

IUPACnon-1-yne
SMILESC#CCCCCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3
InChIKeyOSSQSXOTMIGBCF-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds5

About non-1-yne

non-1-yne (PubChem CID 18937) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is non-1-yne.

Molecular Properties

Compound Namenon-1-yne
PubChem CID18937
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namenon-1-yne
SMILESC#CCCCCCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3
InChIKeyOSSQSXOTMIGBCF-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.98
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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Related Compounds

1-Decyne
CID 12997
1-Octyne
CID 12370
1-Undecyne
CID 75249
1-Hexadecyne
CID 12396
1-Dodecyne
CID 69821
5-Dodecyne
CID 140583
1-Tetradecyne
CID 69823
1-Pentadecyne
CID 69825
1-Tridecyne
CID 117754
1-Octadecyne
CID 69425
2-Nonyne
CID 140536
3-Eicosyne
CID 549159

Frequently Asked Questions

What is the IUPAC name of non-1-yne?
The IUPAC name of non-1-yne (CID 18937) is non-1-yne.
What is the SMILES notation for non-1-yne?
The canonical SMILES for non-1-yne is C#CCCCCCCC.
What is the InChIKey of non-1-yne?
The InChIKey is OSSQSXOTMIGBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3.
What are the key properties of non-1-yne?
non-1-yne has a molecular weight of 124.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-yne is sourced from PubChem (CID 18937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).