8-methylnon-2-yn-1-ol

C10H18O — CID 21488113

IUPAC8-methylnon-2-yn-1-ol
SMILESCC(C)CCCCC#CCO
InChIInChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-4,6,8-9H2,1-2H3
InChIKeyZOTTUBPSLYWQTM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.20
Rot. Bonds4

About 8-methylnon-2-yn-1-ol

8-methylnon-2-yn-1-ol (PubChem CID 21488113) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 8-methylnon-2-yn-1-ol.

Molecular Properties

Compound Name8-methylnon-2-yn-1-ol
PubChem CID21488113
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name8-methylnon-2-yn-1-ol
SMILESCC(C)CCCCC#CCO
InChIInChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-4,6,8-9H2,1-2H3
InChIKeyZOTTUBPSLYWQTM-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
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 8-methylnon-2-yn-1-ol?
The IUPAC name of 8-methylnon-2-yn-1-ol (CID 21488113) is 8-methylnon-2-yn-1-ol.
What is the SMILES notation for 8-methylnon-2-yn-1-ol?
The canonical SMILES for 8-methylnon-2-yn-1-ol is CC(C)CCCCC#CCO.
What is the InChIKey of 8-methylnon-2-yn-1-ol?
The InChIKey is ZOTTUBPSLYWQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-4,6,8-9H2,1-2H3.
What are the key properties of 8-methylnon-2-yn-1-ol?
8-methylnon-2-yn-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnon-2-yn-1-ol is sourced from PubChem (CID 21488113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).