(4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate

C18H28O2 — CID 158439804

IUPAC(4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate
SMILESC=CCC1CCC(C(=O)OC2CCC(C=C)CC2)CC1
InChIInChI=1S/C18H28O2/c1-3-5-15-6-10-16(11-7-15)18(19)20-17-12-8-14(4-2)9-13-17/h3-4,14-17H,1-2,5-13H2
InChIKeyZBQRZDYUQGOCBX-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.66
Rot. Bonds5

About (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate

(4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate (PubChem CID 158439804) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate
PubChem CID158439804
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate
SMILESC=CCC1CCC(C(=O)OC2CCC(C=C)CC2)CC1
InChIInChI=1S/C18H28O2/c1-3-5-15-6-10-16(11-7-15)18(19)20-17-12-8-14(4-2)9-13-17/h3-4,14-17H,1-2,5-13H2
InChIKeyZBQRZDYUQGOCBX-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate?
The IUPAC name of (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate (CID 158439804) is (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate.
What is the SMILES notation for (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate?
The canonical SMILES for (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate is C=CCC1CCC(C(=O)OC2CCC(C=C)CC2)CC1.
What is the InChIKey of (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate?
The InChIKey is ZBQRZDYUQGOCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-5-15-6-10-16(11-7-15)18(19)20-17-12-8-14(4-2)9-13-17/h3-4,14-17H,1-2,5-13H2.
What are the key properties of (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate?
(4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate has a molecular weight of 276.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylcyclohexyl) 4-prop-2-enylcyclohexane-1-carboxylate is sourced from PubChem (CID 158439804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).