5-methylnon-1-en-8-yne

C10H16 — CID 54296500

IUPAC5-methylnon-1-en-8-yne
SMILESC#CCCC(C)CCC=C
InChIInChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h1,5,10H,2,6-9H2,3H3
InChIKeySTHAIBJOVPHHAB-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds5

About 5-methylnon-1-en-8-yne

5-methylnon-1-en-8-yne (PubChem CID 54296500) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-methylnon-1-en-8-yne.

Molecular Properties

Compound Name5-methylnon-1-en-8-yne
PubChem CID54296500
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-methylnon-1-en-8-yne
SMILESC#CCCC(C)CCC=C
InChIInChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h1,5,10H,2,6-9H2,3H3
InChIKeySTHAIBJOVPHHAB-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 5-methylnon-1-en-8-yne?
The IUPAC name of 5-methylnon-1-en-8-yne (CID 54296500) is 5-methylnon-1-en-8-yne.
What is the SMILES notation for 5-methylnon-1-en-8-yne?
The canonical SMILES for 5-methylnon-1-en-8-yne is C#CCCC(C)CCC=C.
What is the InChIKey of 5-methylnon-1-en-8-yne?
The InChIKey is STHAIBJOVPHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h1,5,10H,2,6-9H2,3H3.
What are the key properties of 5-methylnon-1-en-8-yne?
5-methylnon-1-en-8-yne has a molecular weight of 136.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnon-1-en-8-yne is sourced from PubChem (CID 54296500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).