9-methyldeca-1,3,5,7-tetrayne

C11H8 — CID 140793700

IUPAC9-methyldeca-1,3,5,7-tetrayne
SMILESC#CC#CC#CC#CC(C)C
InChIInChI=1S/C11H8/c1-4-5-6-7-8-9-10-11(2)3/h1,11H,2-3H3
InChIKeyIDXURSRQOHWPKJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.29
Rot. Bonds

About 9-methyldeca-1,3,5,7-tetrayne

9-methyldeca-1,3,5,7-tetrayne (PubChem CID 140793700) has the molecular formula C11H8 and a molecular weight of 140.18 g/mol. Its IUPAC name is 9-methyldeca-1,3,5,7-tetrayne.

Molecular Properties

Compound Name9-methyldeca-1,3,5,7-tetrayne
PubChem CID140793700
Molecular FormulaC11H8
Molecular Weight140.18 g/mol
Exact Mass140.06
IUPAC Name9-methyldeca-1,3,5,7-tetrayne
SMILESC#CC#CC#CC#CC(C)C
InChIInChI=1S/C11H8/c1-4-5-6-7-8-9-10-11(2)3/h1,11H,2-3H3
InChIKeyIDXURSRQOHWPKJ-UHFFFAOYSA-N
XLogP1.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyldeca-1,3,5,7-tetrayne?
The IUPAC name of 9-methyldeca-1,3,5,7-tetrayne (CID 140793700) is 9-methyldeca-1,3,5,7-tetrayne.
What is the SMILES notation for 9-methyldeca-1,3,5,7-tetrayne?
The canonical SMILES for 9-methyldeca-1,3,5,7-tetrayne is C#CC#CC#CC#CC(C)C.
What is the InChIKey of 9-methyldeca-1,3,5,7-tetrayne?
The InChIKey is IDXURSRQOHWPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8/c1-4-5-6-7-8-9-10-11(2)3/h1,11H,2-3H3.
What are the key properties of 9-methyldeca-1,3,5,7-tetrayne?
9-methyldeca-1,3,5,7-tetrayne has a molecular weight of 140.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldeca-1,3,5,7-tetrayne is sourced from PubChem (CID 140793700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).