1-methoxynon-4-yne

C10H18O — CID 138974532

IUPAC1-methoxynon-4-yne
SMILESCCCCC#CCCCOC
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h3-5,8-10H2,1-2H3
InChIKeyLIWONDWIXIXWJK-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.61
Rot. Bonds5

About 1-methoxynon-4-yne

1-methoxynon-4-yne (PubChem CID 138974532) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methoxynon-4-yne.

Molecular Properties

Compound Name1-methoxynon-4-yne
PubChem CID138974532
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methoxynon-4-yne
SMILESCCCCC#CCCCOC
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h3-5,8-10H2,1-2H3
InChIKeyLIWONDWIXIXWJK-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxynon-4-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-oct-2-yne
CID 13699571
1-Methoxy-2-heptyne
CID 11105374
1-Ethoxy-1-octyne
CID 10877345
1-Butoxyoct-1-yne
CID 10888581
1-Ethoxyhexyne
CID 12385686
1-Methoxynon-2-yne
CID 12682489
1-Propan-2-yloxyhex-1-yne
CID 12813435
1-Butoxypent-1-yne
CID 21919730
1-Butoxybut-1-yne
CID 21919776
1-Propoxyhex-1-yne
CID 87789720
1-Methoxyoct-3-yne
CID 100933441
8-Ethoxyoct-3-yne
CID 134856042

Frequently Asked Questions

What is the IUPAC name of 1-methoxynon-4-yne?
The IUPAC name of 1-methoxynon-4-yne (CID 138974532) is 1-methoxynon-4-yne.
What is the SMILES notation for 1-methoxynon-4-yne?
The canonical SMILES for 1-methoxynon-4-yne is CCCCC#CCCCOC.
What is the InChIKey of 1-methoxynon-4-yne?
The InChIKey is LIWONDWIXIXWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h3-5,8-10H2,1-2H3.
What are the key properties of 1-methoxynon-4-yne?
1-methoxynon-4-yne has a molecular weight of 154.25 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxynon-4-yne is sourced from PubChem (CID 138974532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).