(E)-1-chloropentadec-6-en-4-yne

C15H25Cl — CID 134898106

IUPAC(E)-1-chloropentadec-6-en-4-yne
SMILESCCCCCCCC/C=C/C#CCCCCl
InChIInChI=1S/C15H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-10H,2-8,13-15H2,1H3/b10-9+
InChIKeyJUMGMQWZQBAZDX-MDZDMXLPSA-N
MW240.82 g/mol
LogP5.32
Rot. Bonds9

About (E)-1-chloropentadec-6-en-4-yne

(E)-1-chloropentadec-6-en-4-yne (PubChem CID 134898106) has the molecular formula C15H25Cl and a molecular weight of 240.82 g/mol. Its IUPAC name is (E)-1-chloropentadec-6-en-4-yne.

Molecular Properties

Compound Name(E)-1-chloropentadec-6-en-4-yne
PubChem CID134898106
Molecular FormulaC15H25Cl
Molecular Weight240.82 g/mol
Exact Mass240.16
IUPAC Name(E)-1-chloropentadec-6-en-4-yne
SMILESCCCCCCCC/C=C/C#CCCCCl
InChIInChI=1S/C15H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-10H,2-8,13-15H2,1H3/b10-9+
InChIKeyJUMGMQWZQBAZDX-MDZDMXLPSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.82
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloropentadec-6-en-4-yne?
The IUPAC name of (E)-1-chloropentadec-6-en-4-yne (CID 134898106) is (E)-1-chloropentadec-6-en-4-yne.
What is the SMILES notation for (E)-1-chloropentadec-6-en-4-yne?
The canonical SMILES for (E)-1-chloropentadec-6-en-4-yne is CCCCCCCC/C=C/C#CCCCCl.
What is the InChIKey of (E)-1-chloropentadec-6-en-4-yne?
The InChIKey is JUMGMQWZQBAZDX-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-10H,2-8,13-15H2,1H3/b10-9+.
What are the key properties of (E)-1-chloropentadec-6-en-4-yne?
(E)-1-chloropentadec-6-en-4-yne has a molecular weight of 240.82 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloropentadec-6-en-4-yne is sourced from PubChem (CID 134898106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).