9-methoxynon-1-yne

C10H18O — CID 87245861

IUPAC9-methoxynon-1-yne
SMILESC#CCCCCCCCOC
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h1H,4-10H2,2H3
InChIKeyCJYRVKPGPSGICM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.61
Rot. Bonds7

About 9-methoxynon-1-yne

9-methoxynon-1-yne (PubChem CID 87245861) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 9-methoxynon-1-yne.

Molecular Properties

Compound Name9-methoxynon-1-yne
PubChem CID87245861
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name9-methoxynon-1-yne
SMILESC#CCCCCCCCOC
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h1H,4-10H2,2H3
InChIKeyCJYRVKPGPSGICM-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 9-methoxynon-1-yne?
The IUPAC name of 9-methoxynon-1-yne (CID 87245861) is 9-methoxynon-1-yne.
What is the SMILES notation for 9-methoxynon-1-yne?
The canonical SMILES for 9-methoxynon-1-yne is C#CCCCCCCCOC.
What is the InChIKey of 9-methoxynon-1-yne?
The InChIKey is CJYRVKPGPSGICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10-11-2/h1H,4-10H2,2H3.
What are the key properties of 9-methoxynon-1-yne?
9-methoxynon-1-yne has a molecular weight of 154.25 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxynon-1-yne is sourced from PubChem (CID 87245861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).