formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen

C11H26O2 — CID 162174353

IUPACformic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen
SMILESC#CC#CC#CCC(=C)C.O=CO.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H8.CH2O2.8H2/c1-4-5-6-7-8-9-10(2)3;2-1-3;;;;;;;;/h1H,2,9H2,3H3;1H,(H,2,3);8*1H
InChIKeyZOEPKMFBUWYPLV-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.26
Rot. Bonds1

About formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen

formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen (PubChem CID 162174353) has the molecular formula C11H26O2 and a molecular weight of 190.33 g/mol. Its IUPAC name is formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen.

Molecular Properties

Compound Nameformic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen
PubChem CID162174353
Molecular FormulaC11H26O2
Molecular Weight190.33 g/mol
Exact Mass190.19
IUPAC Nameformic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen
SMILESC#CC#CC#CCC(=C)C.O=CO.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H8.CH2O2.8H2/c1-4-5-6-7-8-9-10(2)3;2-1-3;;;;;;;;/h1H,2,9H2,3H3;1H,(H,2,3);8*1H
InChIKeyZOEPKMFBUWYPLV-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen?
The IUPAC name of formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen (CID 162174353) is formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen.
What is the SMILES notation for formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen?
The canonical SMILES for formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen is C#CC#CC#CCC(=C)C.O=CO.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen?
The InChIKey is ZOEPKMFBUWYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.CH2O2.8H2/c1-4-5-6-7-8-9-10(2)3;2-1-3;;;;;;;;/h1H,2,9H2,3H3;1H,(H,2,3);8*1H.
What are the key properties of formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen?
formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen has a molecular weight of 190.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;8-methylnon-8-en-1,3,5-triyne;molecular hydrogen is sourced from PubChem (CID 162174353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).