non-1-en-4-yn-3-ylcyclohexane

C15H24 — CID 134965251

IUPACnon-1-en-4-yn-3-ylcyclohexane
SMILESC=CC(C#CCCCC)C1CCCCC1
InChIInChI=1S/C15H24/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h4,14-15H,2-3,5-7,9-10,12-13H2,1H3
InChIKeyPGTYSXNXZLRRSJ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds4

About non-1-en-4-yn-3-ylcyclohexane

non-1-en-4-yn-3-ylcyclohexane (PubChem CID 134965251) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is non-1-en-4-yn-3-ylcyclohexane.

Molecular Properties

Compound Namenon-1-en-4-yn-3-ylcyclohexane
PubChem CID134965251
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Namenon-1-en-4-yn-3-ylcyclohexane
SMILESC=CC(C#CCCCC)C1CCCCC1
InChIInChI=1S/C15H24/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h4,14-15H,2-3,5-7,9-10,12-13H2,1H3
InChIKeyPGTYSXNXZLRRSJ-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 non-1-en-4-yn-3-ylcyclohexane?
The IUPAC name of non-1-en-4-yn-3-ylcyclohexane (CID 134965251) is non-1-en-4-yn-3-ylcyclohexane.
What is the SMILES notation for non-1-en-4-yn-3-ylcyclohexane?
The canonical SMILES for non-1-en-4-yn-3-ylcyclohexane is C=CC(C#CCCCC)C1CCCCC1.
What is the InChIKey of non-1-en-4-yn-3-ylcyclohexane?
The InChIKey is PGTYSXNXZLRRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h4,14-15H,2-3,5-7,9-10,12-13H2,1H3.
What are the key properties of non-1-en-4-yn-3-ylcyclohexane?
non-1-en-4-yn-3-ylcyclohexane has a molecular weight of 204.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-en-4-yn-3-ylcyclohexane is sourced from PubChem (CID 134965251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).