2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate

C14H27NO3 — CID 108730557

IUPAC2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate
SMILESCCCCC(CC)COC(=O)N1CCC(OC)C1
InChIInChI=1S/C14H27NO3/c1-4-6-7-12(5-2)11-18-14(16)15-9-8-13(10-15)17-3/h12-13H,4-11H2,1-3H3
InChIKeyDHJDGAQUORHFDE-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.06
Rot. Bonds7

About 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate

2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate (PubChem CID 108730557) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate
PubChem CID108730557
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate
SMILESCCCCC(CC)COC(=O)N1CCC(OC)C1
InChIInChI=1S/C14H27NO3/c1-4-6-7-12(5-2)11-18-14(16)15-9-8-13(10-15)17-3/h12-13H,4-11H2,1-3H3
InChIKeyDHJDGAQUORHFDE-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate?
The IUPAC name of 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate (CID 108730557) is 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate is CCCCC(CC)COC(=O)N1CCC(OC)C1.
What is the InChIKey of 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate?
The InChIKey is DHJDGAQUORHFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-6-7-12(5-2)11-18-14(16)15-9-8-13(10-15)17-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate?
2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 108730557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).