tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate

C15H26O3 — CID 18684352

IUPACtert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate
SMILESCOC(CC(=O)OC(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C15H26O3/c1-15(2,3)18-14(16)9-13(17-4)12-8-10-5-6-11(12)7-10/h10-13H,5-9H2,1-4H3
InChIKeyQRSCTVOUEOFHHO-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate

tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate (PubChem CID 18684352) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate
PubChem CID18684352
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nametert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate
SMILESCOC(CC(=O)OC(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C15H26O3/c1-15(2,3)18-14(16)9-13(17-4)12-8-10-5-6-11(12)7-10/h10-13H,5-9H2,1-4H3
InChIKeyQRSCTVOUEOFHHO-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate 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 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate?
The IUPAC name of tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate (CID 18684352) is tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate.
What is the SMILES notation for tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate?
The canonical SMILES for tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate is COC(CC(=O)OC(C)(C)C)C1CC2CCC1C2.
What is the InChIKey of tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate?
The InChIKey is QRSCTVOUEOFHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-15(2,3)18-14(16)9-13(17-4)12-8-10-5-6-11(12)7-10/h10-13H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate?
tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate has a molecular weight of 254.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropanoate is sourced from PubChem (CID 18684352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).