methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate

C15H22O8 — CID 11809668

IUPACmethyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate
SMILESCOC(=O)C(O)C1CO[C@]2(C)[C@@H](CC1=O)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H22O8/c1-14(2)22-11-13(23-14)21-9-5-8(16)7(6-20-15(9,11)3)10(17)12(18)19-4/h7,9-11,13,17H,5-6H2,1-4H3/t7?,9-,10?,11+,13-,15-/m1/s1
InChIKeyGXLMNBZKLDPREO-JHIUEJLHSA-N
MW330.33 g/mol
LogP-0.24
Rot. Bonds2

About methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate

methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate (PubChem CID 11809668) has the molecular formula C15H22O8 and a molecular weight of 330.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate
PubChem CID11809668
Molecular FormulaC15H22O8
Molecular Weight330.33 g/mol
Exact Mass330.13
IUPAC Namemethyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate
SMILESCOC(=O)C(O)C1CO[C@]2(C)[C@@H](CC1=O)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H22O8/c1-14(2)22-11-13(23-14)21-9-5-8(16)7(6-20-15(9,11)3)10(17)12(18)19-4/h7,9-11,13,17H,5-6H2,1-4H3/t7?,9-,10?,11+,13-,15-/m1/s1
InChIKeyGXLMNBZKLDPREO-JHIUEJLHSA-N
XLogP-0.24
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate with MolForge

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Related Compounds

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methyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxyacetate
CID 11065232
methyl 2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyacetate
CID 13292453
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 102153922
methyl (2R)-2-[(1S,5S)-5-tert-butyl-2-oxocyclohexyl]-2-hydroxyacetate
CID 134859883
methyl (3S)-3-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]pentanoate
CID 15305835
(2,2-dimethyl-6-oxo-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methyl acetate
CID 75148574
(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene
CID 15545581
9H-fluoren-9-ylmethyl (1R,2R,6R,8R,9R)-4,4-dimethyl-15-oxo-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecane-10-carboxylate
CID 16667541
dimethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate
CID 75090382
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate (CID 11809668) is methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate is COC(=O)C(O)C1CO[C@]2(C)[C@@H](CC1=O)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate?
The InChIKey is GXLMNBZKLDPREO-JHIUEJLHSA-N. The full InChI is InChI=1S/C15H22O8/c1-14(2)22-11-13(23-14)21-9-5-8(16)7(6-20-15(9,11)3)10(17)12(18)19-4/h7,9-11,13,17H,5-6H2,1-4H3/t7?,9-,10?,11+,13-,15-/m1/s1.
What are the key properties of methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate?
methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate has a molecular weight of 330.33 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[(1R,2R,6R,8R)-1,4,4-trimethyl-10-oxo-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridecan-11-yl]acetate is sourced from PubChem (CID 11809668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).