methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate

C15H26O6 — CID 134830573

IUPACmethyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate
SMILESCC[C@@]1([C@H](O)C(=O)OC)CC[C@H]([C@]2(C)CCC(OC)O2)O1
InChIInChI=1S/C15H26O6/c1-5-15(12(16)13(17)19-4)9-6-10(20-15)14(2)8-7-11(18-3)21-14/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14+,15+/m1/s1
InChIKeyMGRNVKYCWNMVKT-SUWDNJBVSA-N
MW302.37 g/mol
LogP1.39
Rot. Bonds5

About methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate

methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate (PubChem CID 134830573) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate
PubChem CID134830573
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Namemethyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate
SMILESCC[C@@]1([C@H](O)C(=O)OC)CC[C@H]([C@]2(C)CCC(OC)O2)O1
InChIInChI=1S/C15H26O6/c1-5-15(12(16)13(17)19-4)9-6-10(20-15)14(2)8-7-11(18-3)21-14/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14+,15+/m1/s1
InChIKeyMGRNVKYCWNMVKT-SUWDNJBVSA-N
XLogP1.39
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate 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

(S)-3,4-Dihydroxy-5-methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-tridecyl}-dihydro-furan-2-one
CID 44353625
[(2R)-2-[(5S,8R)-6,9-dioxo-2-propan-2-yloxy-1,7-dioxaspiro[4.4]nonan-8-yl]-2-hydroxyethyl] hexadecanoate
CID 10481524
(2S)-2-[(2S,3S,5R)-3,5-diethyl-5-pentyloxolan-2-yl]-2-hydroxyacetic acid
CID 127043555
Cinbotolide D
CID 169492344
(2S,3aR,6aR)-2-cyclohexyl-3a-hydroxy-2,3,4,6a-tetrahydrofuro[2,3-b]furan-5-one
CID 10727935
methyl (2R)-2-hydroxy-2-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
CID 11736414
methyl (4S,5R)-5-((S)-sec-butyl)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11780740
methyl (2S)-2-hydroxy-2-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
CID 12069158
methyl (2R)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
CID 14633631
(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid
CID 44604406
1-[(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-pentoxyoxolan-3-yl]propan-1-one
CID 91175777
(3R)-3-[(3aR,5S,6S,6aR)-6-acetyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-3,5-dihydroxyhexane-2,4-dione
CID 91243616

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate (CID 134830573) is methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate is CC[C@@]1([C@H](O)C(=O)OC)CC[C@H]([C@]2(C)CCC(OC)O2)O1.
What is the InChIKey of methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate?
The InChIKey is MGRNVKYCWNMVKT-SUWDNJBVSA-N. The full InChI is InChI=1S/C15H26O6/c1-5-15(12(16)13(17)19-4)9-6-10(20-15)14(2)8-7-11(18-3)21-14/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14+,15+/m1/s1.
What are the key properties of methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate?
methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate has a molecular weight of 302.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2S,5R)-2-ethyl-5-[(2S)-5-methoxy-2-methyloxolan-2-yl]oxolan-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 134830573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).