5-methylidenenon-2-yne

C10H16 — CID 91195351

IUPAC5-methylidenenon-2-yne
SMILESC=C(CC#CC)CCCC
InChIInChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h3-4,6,8-9H2,1-2H3
InChIKeyWNYSLJFBOBYWDD-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds4

About 5-methylidenenon-2-yne

5-methylidenenon-2-yne (PubChem CID 91195351) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-methylidenenon-2-yne.

Molecular Properties

Compound Name5-methylidenenon-2-yne
PubChem CID91195351
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-methylidenenon-2-yne
SMILESC=C(CC#CC)CCCC
InChIInChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h3-4,6,8-9H2,1-2H3
InChIKeyWNYSLJFBOBYWDD-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
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-methylidenenon-2-yne?
The IUPAC name of 5-methylidenenon-2-yne (CID 91195351) is 5-methylidenenon-2-yne.
What is the SMILES notation for 5-methylidenenon-2-yne?
The canonical SMILES for 5-methylidenenon-2-yne is C=C(CC#CC)CCCC.
What is the InChIKey of 5-methylidenenon-2-yne?
The InChIKey is WNYSLJFBOBYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h3-4,6,8-9H2,1-2H3.
What are the key properties of 5-methylidenenon-2-yne?
5-methylidenenon-2-yne has a molecular weight of 136.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenenon-2-yne is sourced from PubChem (CID 91195351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).