[(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane

C16H24 — CID 10965953

IUPAC[(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane
SMILESC(#CC1CCCCC1)/C=C/C1CCCCC1
InChIInChI=1S/C16H24/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7,13,15-16H,1-6,9-12H2/b13-7+
InChIKeyQKTAIGCIODEXQO-NTUHNPAUSA-N
MW216.37 g/mol
LogP4.71
Rot. Bonds1

About [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane

[(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane (PubChem CID 10965953) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane.

Molecular Properties

Compound Name[(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane
PubChem CID10965953
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name[(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane
SMILESC(#CC1CCCCC1)/C=C/C1CCCCC1
InChIInChI=1S/C16H24/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7,13,15-16H,1-6,9-12H2/b13-7+
InChIKeyQKTAIGCIODEXQO-NTUHNPAUSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane?
The IUPAC name of [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane (CID 10965953) is [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane.
What is the SMILES notation for [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane?
The canonical SMILES for [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane is C(#CC1CCCCC1)/C=C/C1CCCCC1.
What is the InChIKey of [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane?
The InChIKey is QKTAIGCIODEXQO-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H24/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7,13,15-16H,1-6,9-12H2/b13-7+.
What are the key properties of [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane?
[(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane has a molecular weight of 216.37 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-cyclohexylbut-1-en-3-ynyl]cyclohexane is sourced from PubChem (CID 10965953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).