methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate

C15H28O5 — CID 10957165

IUPACmethyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate
SMILESCC[C@@H]1C[C@@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)OC1O
InChIInChI=1S/C15H28O5/c1-5-10(12(16)7-13(17)19-4)8-15(3)9-11(6-2)14(18)20-15/h10-12,14,16,18H,5-9H2,1-4H3/t10-,11-,12-,14?,15-/m1/s1
InChIKeyADXGNQCNYOUEIC-LAHBTDTDSA-N
MW288.38 g/mol
LogP1.85
Rot. Bonds7

About methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate

methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate (PubChem CID 10957165) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate
PubChem CID10957165
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Namemethyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate
SMILESCC[C@@H]1C[C@@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)OC1O
InChIInChI=1S/C15H28O5/c1-5-10(12(16)7-13(17)19-4)8-15(3)9-11(6-2)14(18)20-15/h10-12,14,16,18H,5-9H2,1-4H3/t10-,11-,12-,14?,15-/m1/s1
InChIKeyADXGNQCNYOUEIC-LAHBTDTDSA-N
XLogP1.85
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate?
The IUPAC name of methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate (CID 10957165) is methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate.
What is the SMILES notation for methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate?
The canonical SMILES for methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate is CC[C@@H]1C[C@@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)OC1O.
What is the InChIKey of methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate?
The InChIKey is ADXGNQCNYOUEIC-LAHBTDTDSA-N. The full InChI is InChI=1S/C15H28O5/c1-5-10(12(16)7-13(17)19-4)8-15(3)9-11(6-2)14(18)20-15/h10-12,14,16,18H,5-9H2,1-4H3/t10-,11-,12-,14?,15-/m1/s1.
What are the key properties of methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate?
methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate has a molecular weight of 288.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-[[(2R,4R)-4-ethyl-5-hydroxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate is sourced from PubChem (CID 10957165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).