2-cyclohex-2-en-1-ylethynylbenzene

C14H14 — CID 10397447

IUPAC2-cyclohex-2-en-1-ylethynylbenzene
SMILESC(#CC1C=CCCC1)c1ccccc1
InChIInChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-5,7-9,14H,2,6,10H2
InChIKeyDGTQYRWGWHKIEZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.39
Rot. Bonds

About 2-cyclohex-2-en-1-ylethynylbenzene

2-cyclohex-2-en-1-ylethynylbenzene (PubChem CID 10397447) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylethynylbenzene.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylethynylbenzene
PubChem CID10397447
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name2-cyclohex-2-en-1-ylethynylbenzene
SMILESC(#CC1C=CCCC1)c1ccccc1
InChIInChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-5,7-9,14H,2,6,10H2
InChIKeyDGTQYRWGWHKIEZ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.39
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 2-cyclohex-2-en-1-ylethynylbenzene?
The IUPAC name of 2-cyclohex-2-en-1-ylethynylbenzene (CID 10397447) is 2-cyclohex-2-en-1-ylethynylbenzene.
What is the SMILES notation for 2-cyclohex-2-en-1-ylethynylbenzene?
The canonical SMILES for 2-cyclohex-2-en-1-ylethynylbenzene is C(#CC1C=CCCC1)c1ccccc1.
What is the InChIKey of 2-cyclohex-2-en-1-ylethynylbenzene?
The InChIKey is DGTQYRWGWHKIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-5,7-9,14H,2,6,10H2.
What are the key properties of 2-cyclohex-2-en-1-ylethynylbenzene?
2-cyclohex-2-en-1-ylethynylbenzene has a molecular weight of 182.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylethynylbenzene is sourced from PubChem (CID 10397447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).