2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate

C14H27NO3 — CID 66265491

IUPAC2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1COCC1NC
InChIInChI=1S/C14H27NO3/c1-4-6-7-11(5-2)8-18-14(16)12-9-17-10-13(12)15-3/h11-13,15H,4-10H2,1-3H3
InChIKeyFHJBWBGZORBEMU-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.98
Rot. Bonds8

About 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate

2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate (PubChem CID 66265491) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate
PubChem CID66265491
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1COCC1NC
InChIInChI=1S/C14H27NO3/c1-4-6-7-11(5-2)8-18-14(16)12-9-17-10-13(12)15-3/h11-13,15H,4-10H2,1-3H3
InChIKeyFHJBWBGZORBEMU-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tris(2-ethylhexyl) cyclopentane-1,2,4-tricarboxylate
CID 174160323
butan-2-yl 4-(methylamino)oxolane-3-carboxylate
CID 66267071
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
5-(2-ethylhexoxycarbonyl)oxolane-2,3,4-tricarboxylic acid
CID 164916098
4-(2-ethylhexylamino)oxolan-3-ol
CID 107820067
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
1-O-(2-ethylhexyl) 4-O-propan-2-yl cyclohexane-1,4-dicarboxylate
CID 66984605
4-(2-ethylhexoxycarbonyl)-7-oxabicyclo[4.1.0]hept-5-ene-3-carboxylic acid
CID 175018771
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate?
The IUPAC name of 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate (CID 66265491) is 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate.
What is the SMILES notation for 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate?
The canonical SMILES for 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate is CCCCC(CC)COC(=O)C1COCC1NC.
What is the InChIKey of 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate?
The InChIKey is FHJBWBGZORBEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-6-7-11(5-2)8-18-14(16)12-9-17-10-13(12)15-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate?
2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66265491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).