(4-ethylcyclohexyl) 2-methylprop-2-enoate

C12H20O2 — CID 22250722

IUPAC(4-ethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CC)CC1
InChIInChI=1S/C12H20O2/c1-4-10-5-7-11(8-6-10)14-12(13)9(2)3/h10-11H,2,4-8H2,1,3H3
InChIKeyJNKAZWYLWHEBOS-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds3

About (4-ethylcyclohexyl) 2-methylprop-2-enoate

(4-ethylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 22250722) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4-ethylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-ethylcyclohexyl) 2-methylprop-2-enoate
PubChem CID22250722
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4-ethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CC)CC1
InChIInChI=1S/C12H20O2/c1-4-10-5-7-11(8-6-10)14-12(13)9(2)3/h10-11H,2,4-8H2,1,3H3
InChIKeyJNKAZWYLWHEBOS-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (4-ethylcyclohexyl) 2-methylprop-2-enoate (CID 22250722) is (4-ethylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-ethylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-ethylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(CC)CC1.
What is the InChIKey of (4-ethylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is JNKAZWYLWHEBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-10-5-7-11(8-6-10)14-12(13)9(2)3/h10-11H,2,4-8H2,1,3H3.
What are the key properties of (4-ethylcyclohexyl) 2-methylprop-2-enoate?
(4-ethylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22250722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).