[(E)-dec-3-en-1-ynyl]cyclohexane

C16H26 — CID 134993730

IUPAC[(E)-dec-3-en-1-ynyl]cyclohexane
SMILESCCCCCC/C=C/C#CC1CCCCC1
InChIInChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h7-8,16H,2-6,9,11-12,14-15H2,1H3/b8-7+
InChIKeyPVSOSJVQTZQRKH-BQYQJAHWSA-N
MW218.38 g/mol
LogP5.10
Rot. Bonds5

About [(E)-dec-3-en-1-ynyl]cyclohexane

[(E)-dec-3-en-1-ynyl]cyclohexane (PubChem CID 134993730) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is [(E)-dec-3-en-1-ynyl]cyclohexane.

Molecular Properties

Compound Name[(E)-dec-3-en-1-ynyl]cyclohexane
PubChem CID134993730
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name[(E)-dec-3-en-1-ynyl]cyclohexane
SMILESCCCCCC/C=C/C#CC1CCCCC1
InChIInChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h7-8,16H,2-6,9,11-12,14-15H2,1H3/b8-7+
InChIKeyPVSOSJVQTZQRKH-BQYQJAHWSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-dec-3-en-1-ynyl]cyclohexane?
The IUPAC name of [(E)-dec-3-en-1-ynyl]cyclohexane (CID 134993730) is [(E)-dec-3-en-1-ynyl]cyclohexane.
What is the SMILES notation for [(E)-dec-3-en-1-ynyl]cyclohexane?
The canonical SMILES for [(E)-dec-3-en-1-ynyl]cyclohexane is CCCCCC/C=C/C#CC1CCCCC1.
What is the InChIKey of [(E)-dec-3-en-1-ynyl]cyclohexane?
The InChIKey is PVSOSJVQTZQRKH-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h7-8,16H,2-6,9,11-12,14-15H2,1H3/b8-7+.
What are the key properties of [(E)-dec-3-en-1-ynyl]cyclohexane?
[(E)-dec-3-en-1-ynyl]cyclohexane has a molecular weight of 218.38 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-3-en-1-ynyl]cyclohexane is sourced from PubChem (CID 134993730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).