(3-tert-butylcyclohexyl) 2-methylprop-2-enoate

C14H24O2 — CID 19994016

IUPAC(3-tert-butylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(C)(C)C)C1
InChIInChI=1S/C14H24O2/c1-10(2)13(15)16-12-8-6-7-11(9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3
InChIKeyHVWXSEQGKBAWIV-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds2

About (3-tert-butylcyclohexyl) 2-methylprop-2-enoate

(3-tert-butylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 19994016) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3-tert-butylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-tert-butylcyclohexyl) 2-methylprop-2-enoate
PubChem CID19994016
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3-tert-butylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(C)(C)C)C1
InChIInChI=1S/C14H24O2/c1-10(2)13(15)16-12-8-6-7-11(9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3
InChIKeyHVWXSEQGKBAWIV-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-tert-butylcyclohexyl) 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (3-tert-butylcyclohexyl) 2-methylprop-2-enoate (CID 19994016) is (3-tert-butylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-tert-butylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-tert-butylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(C(C)(C)C)C1.
What is the InChIKey of (3-tert-butylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is HVWXSEQGKBAWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)13(15)16-12-8-6-7-11(9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3.
What are the key properties of (3-tert-butylcyclohexyl) 2-methylprop-2-enoate?
(3-tert-butylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 19994016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).