ethenyl 4-phenylcyclohexane-1-carboxylate

C15H18O2 — CID 134225894

IUPACethenyl 4-phenylcyclohexane-1-carboxylate
SMILESC=COC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H18O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h2-7,13-14H,1,8-11H2
InChIKeyZINMJSCTUJGLBW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.65
Rot. Bonds3

About ethenyl 4-phenylcyclohexane-1-carboxylate

ethenyl 4-phenylcyclohexane-1-carboxylate (PubChem CID 134225894) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethenyl 4-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethenyl 4-phenylcyclohexane-1-carboxylate
PubChem CID134225894
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethenyl 4-phenylcyclohexane-1-carboxylate
SMILESC=COC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H18O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h2-7,13-14H,1,8-11H2
InChIKeyZINMJSCTUJGLBW-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 4-phenylcyclohexane-1-carboxylate?
The IUPAC name of ethenyl 4-phenylcyclohexane-1-carboxylate (CID 134225894) is ethenyl 4-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for ethenyl 4-phenylcyclohexane-1-carboxylate?
The canonical SMILES for ethenyl 4-phenylcyclohexane-1-carboxylate is C=COC(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of ethenyl 4-phenylcyclohexane-1-carboxylate?
The InChIKey is ZINMJSCTUJGLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h2-7,13-14H,1,8-11H2.
What are the key properties of ethenyl 4-phenylcyclohexane-1-carboxylate?
ethenyl 4-phenylcyclohexane-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 134225894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).