tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate

C14H24O3 — CID 15091153

IUPACtert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C14H24O3/c1-10(13(16)17-14(2,3)4)12(15)11-8-6-5-7-9-11/h11-12,15H,1,5-9H2,2-4H3
InChIKeyLUSXKLPBNVINHK-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate

tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate (PubChem CID 15091153) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
PubChem CID15091153
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nametert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C14H24O3/c1-10(13(16)17-14(2,3)4)12(15)11-8-6-5-7-9-11/h11-12,15H,1,5-9H2,2-4H3
InChIKeyLUSXKLPBNVINHK-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-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 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
The IUPAC name of tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate (CID 15091153) is tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate.
What is the SMILES notation for tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
The canonical SMILES for tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate is C=C(C(=O)OC(C)(C)C)C(O)C1CCCCC1.
What is the InChIKey of tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
The InChIKey is LUSXKLPBNVINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-10(13(16)17-14(2,3)4)12(15)11-8-6-5-7-9-11/h11-12,15H,1,5-9H2,2-4H3.
What are the key properties of tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate?
tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate is sourced from PubChem (CID 15091153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).