1-cyclohexyl-1-ethynylcyclohexane

C14H22 — CID 175496127

IUPAC1-cyclohexyl-1-ethynylcyclohexane
SMILESC#CC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C14H22/c1-2-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h1,13H,3-12H2
InChIKeyVESOYIYJVSLGOU-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.15
Rot. Bonds1

About 1-cyclohexyl-1-ethynylcyclohexane

1-cyclohexyl-1-ethynylcyclohexane (PubChem CID 175496127) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethynylcyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-1-ethynylcyclohexane
PubChem CID175496127
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-cyclohexyl-1-ethynylcyclohexane
SMILESC#CC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C14H22/c1-2-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h1,13H,3-12H2
InChIKeyVESOYIYJVSLGOU-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.15
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 1-cyclohexyl-1-ethynylcyclohexane?
The IUPAC name of 1-cyclohexyl-1-ethynylcyclohexane (CID 175496127) is 1-cyclohexyl-1-ethynylcyclohexane.
What is the SMILES notation for 1-cyclohexyl-1-ethynylcyclohexane?
The canonical SMILES for 1-cyclohexyl-1-ethynylcyclohexane is C#CC1(C2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethynylcyclohexane?
The InChIKey is VESOYIYJVSLGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h1,13H,3-12H2.
What are the key properties of 1-cyclohexyl-1-ethynylcyclohexane?
1-cyclohexyl-1-ethynylcyclohexane has a molecular weight of 190.33 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethynylcyclohexane is sourced from PubChem (CID 175496127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).