tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate

C17H32O5 — CID 170141063

IUPACtert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOC1CCCCC1
InChIInChI=1S/C17H32O5/c1-17(2,3)22-16(18)9-10-19-11-12-20-13-14-21-15-7-5-4-6-8-15/h15H,4-14H2,1-3H3
InChIKeySDVROOBYYFBAID-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.10
Rot. Bonds10

About tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate

tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate (PubChem CID 170141063) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate
PubChem CID170141063
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOC1CCCCC1
InChIInChI=1S/C17H32O5/c1-17(2,3)22-16(18)9-10-19-11-12-20-13-14-21-15-7-5-4-6-8-15/h15H,4-14H2,1-3H3
InChIKeySDVROOBYYFBAID-UHFFFAOYSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate
CID 167464617
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 106707456
tert-butyl 3-[2-(6-methylheptoxy)ethoxy]propanoate
CID 170192834
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate
CID 63826969
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-(6-bromohexoxy)propanoate
CID 165436316
tert-butyl 3-(3-methoxypropoxy)propanoate
CID 116659194
tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate (CID 170141063) is tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate is CC(C)(C)OC(=O)CCOCCOCCOC1CCCCC1.
What is the InChIKey of tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate?
The InChIKey is SDVROOBYYFBAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-17(2,3)22-16(18)9-10-19-11-12-20-13-14-21-15-7-5-4-6-8-15/h15H,4-14H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate?
tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate has a molecular weight of 316.44 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 170141063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).