tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate

C14H24O3 — CID 87831995

IUPACtert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate
SMILESCO/C(=C\C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24O3/c1-14(2,3)17-13(15)12(16-4)10-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3/b12-10-
InChIKeyAOWFARPRPRYYJQ-BENRWUELSA-N
MW240.34 g/mol
LogP3.44
Rot. Bonds3

About tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate

tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate (PubChem CID 87831995) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate
PubChem CID87831995
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nametert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate
SMILESCO/C(=C\C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24O3/c1-14(2,3)17-13(15)12(16-4)10-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3/b12-10-
InChIKeyAOWFARPRPRYYJQ-BENRWUELSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-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 tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate?
The IUPAC name of tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate (CID 87831995) is tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate.
What is the SMILES notation for tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate?
The canonical SMILES for tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate is CO/C(=C\C1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate?
The InChIKey is AOWFARPRPRYYJQ-BENRWUELSA-N. The full InChI is InChI=1S/C14H24O3/c1-14(2,3)17-13(15)12(16-4)10-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3/b12-10-.
What are the key properties of tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate?
tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate is sourced from PubChem (CID 87831995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).