ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate

C15H18O3 — CID 102438647

IUPACethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2OCC[C@@]21Cc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-17-14(16)12-13-15(12,8-9-18-13)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+,15-/m0/s1
InChIKeyHFVGBTOGBGFSLC-GUTXKFCHSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds4

About ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate

ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 102438647) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID102438647
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2OCC[C@@]21Cc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-17-14(16)12-13-15(12,8-9-18-13)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+,15-/m0/s1
InChIKeyHFVGBTOGBGFSLC-GUTXKFCHSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate 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

ethyl 3-benzyl-3-ethyl-5-oxopyrrolidine-2-carboxylate
CID 105360076
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl 5-(2-benzyl-2-ethylpyrrolidin-1-yl)-1,3,4-oxadiazole-2-carboxylate
CID 167777783
ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate
CID 100949445
ethyl 3-benzyloxirane-2-carboxylate
CID 526766
ethyl (1S,5S,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469612
ethyl 3-oxo-7a-phenylmethoxy-6,7-dihydro-5H-pyrrolo[2,1-b][1,3]oxazole-2-carboxylate
CID 101230856
ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 138630636
ethyl 5-benzyl-1,5-dimethyl-4-oxopyrrolidine-3-carboxylate
CID 83855347
ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
CID 86651574

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate (CID 102438647) is ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)[C@@H]1[C@H]2OCC[C@@]21Cc1ccccc1.
What is the InChIKey of ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is HFVGBTOGBGFSLC-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-17-14(16)12-13-15(12,8-9-18-13)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+,15-/m0/s1.
What are the key properties of ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,5R,6S)-5-benzyl-2-oxabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 102438647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).