3-(2-cyclohexylethynyl)cyclohexene

C14H20 — CID 134995401

IUPAC3-(2-cyclohexylethynyl)cyclohexene
SMILESC(#CC1CCCCC1)C1C=CCCC1
InChIInChI=1S/C14H20/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3,7,13-14H,1-2,4-6,8-10H2
InChIKeyFYSTTXNHVUFWHK-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.93
Rot. Bonds

About 3-(2-cyclohexylethynyl)cyclohexene

3-(2-cyclohexylethynyl)cyclohexene (PubChem CID 134995401) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-(2-cyclohexylethynyl)cyclohexene.

Molecular Properties

Compound Name3-(2-cyclohexylethynyl)cyclohexene
PubChem CID134995401
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name3-(2-cyclohexylethynyl)cyclohexene
SMILESC(#CC1CCCCC1)C1C=CCCC1
InChIInChI=1S/C14H20/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3,7,13-14H,1-2,4-6,8-10H2
InChIKeyFYSTTXNHVUFWHK-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.93
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 3-(2-cyclohexylethynyl)cyclohexene?
The IUPAC name of 3-(2-cyclohexylethynyl)cyclohexene (CID 134995401) is 3-(2-cyclohexylethynyl)cyclohexene.
What is the SMILES notation for 3-(2-cyclohexylethynyl)cyclohexene?
The canonical SMILES for 3-(2-cyclohexylethynyl)cyclohexene is C(#CC1CCCCC1)C1C=CCCC1.
What is the InChIKey of 3-(2-cyclohexylethynyl)cyclohexene?
The InChIKey is FYSTTXNHVUFWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3,7,13-14H,1-2,4-6,8-10H2.
What are the key properties of 3-(2-cyclohexylethynyl)cyclohexene?
3-(2-cyclohexylethynyl)cyclohexene has a molecular weight of 188.31 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethynyl)cyclohexene is sourced from PubChem (CID 134995401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).