1-ethynyl-4-(4-methylcyclohexyl)cyclohexane

C15H24 — CID 23556447

IUPAC1-ethynyl-4-(4-methylcyclohexyl)cyclohexane
SMILESC#CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H24/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h1,12-15H,4-11H2,2H3
InChIKeyLJARTVGCAZBWMV-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.25
Rot. Bonds1

About 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane

1-ethynyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 23556447) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethynyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID23556447
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-ethynyl-4-(4-methylcyclohexyl)cyclohexane
SMILESC#CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H24/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h1,12-15H,4-11H2,2H3
InChIKeyLJARTVGCAZBWMV-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-4-methylcyclohexane;formaldehyde
CID 171105217
methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 160901887
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-hexa-1,3,5-triynyl-4-methylcyclohexane
CID 58711190
1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 90698417
ethane-1,2-diol;ethynylcyclopropane
CID 90281730
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-thiol
CID 88553136
1-bromo-4-ethynylcyclohexane
CID 147846711
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
bis(1,4-dimethylcyclohexane);methane
CID 161326462
molecular hydrogen;1,2,3-trifluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;hydrate
CID 159495416
(2R)-5-ethynyl-2-methylpiperidine
CID 145069795

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane (CID 23556447) is 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane is C#CC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is LJARTVGCAZBWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h1,12-15H,4-11H2,2H3.
What are the key properties of 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane?
1-ethynyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 204.36 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 23556447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).