1-methoxynon-2-yne

C10H18O — CID 12682489

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

About 1-methoxynon-2-yne

1-methoxynon-2-yne (PubChem CID 12682489) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methoxynon-2-yne.

Molecular Properties

Compound Name1-methoxynon-2-yne
PubChem CID12682489
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methoxynon-2-yne
SMILESCCCCCCC#CCOC
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h3-7,10H2,1-2H3
InChIKeyKKLOLTMOAHQAGO-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'}

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Related Compounds

Npc182183
CID 560917
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-Tetradecyne, 1-ethoxy-
CID 11075510
1-Ethoxyhexyne
CID 12385686
1-Heptynyl methyl ether
CID 12564137
1-Methoxyoct-1-yne
CID 12813434
Methoxy-nonin
CID 20565086
1-Ethoxydec-1-yne
CID 54249374
1-Methoxydec-1-yne
CID 54295464

Frequently Asked Questions

What is the IUPAC name of 1-methoxynon-2-yne?
The IUPAC name of 1-methoxynon-2-yne (CID 12682489) is 1-methoxynon-2-yne.
What is the SMILES notation for 1-methoxynon-2-yne?
The canonical SMILES for 1-methoxynon-2-yne is CCCCCCC#CCOC.
What is the InChIKey of 1-methoxynon-2-yne?
The InChIKey is KKLOLTMOAHQAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h3-7,10H2,1-2H3.
What are the key properties of 1-methoxynon-2-yne?
1-methoxynon-2-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-2-yne is sourced from PubChem (CID 12682489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).