methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate

C14H22O8 — CID 87492191

IUPACmethyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)[C@H]1OCC(C)O[C@@H]1[C@@H]1OCC(C)O[C@H]1C(=O)OC
InChIInChI=1S/C14H22O8/c1-7-6-20-11(13(15)17-3)10(21-7)9-12(14(16)18-4)22-8(2)5-19-9/h7-12H,5-6H2,1-4H3/t7?,8?,9-,10+,11-,12+/m0/s1
InChIKeyUPMIOHKIGVTRMO-OABJDHSDSA-N
MW318.32 g/mol
LogP-0.32
Rot. Bonds3

About methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate

methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate (PubChem CID 87492191) has the molecular formula C14H22O8 and a molecular weight of 318.32 g/mol. Its IUPAC name is methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate
PubChem CID87492191
Molecular FormulaC14H22O8
Molecular Weight318.32 g/mol
Exact Mass318.13
IUPAC Namemethyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)[C@H]1OCC(C)O[C@@H]1[C@@H]1OCC(C)O[C@H]1C(=O)OC
InChIInChI=1S/C14H22O8/c1-7-6-20-11(13(15)17-3)10(21-7)9-12(14(16)18-4)22-8(2)5-19-9/h7-12H,5-6H2,1-4H3/t7?,8?,9-,10+,11-,12+/m0/s1
InChIKeyUPMIOHKIGVTRMO-OABJDHSDSA-N
XLogP-0.32
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate?
The IUPAC name of methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate (CID 87492191) is methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate is COC(=O)[C@H]1OCC(C)O[C@@H]1[C@@H]1OCC(C)O[C@H]1C(=O)OC.
What is the InChIKey of methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate?
The InChIKey is UPMIOHKIGVTRMO-OABJDHSDSA-N. The full InChI is InChI=1S/C14H22O8/c1-7-6-20-11(13(15)17-3)10(21-7)9-12(14(16)18-4)22-8(2)5-19-9/h7-12H,5-6H2,1-4H3/t7?,8?,9-,10+,11-,12+/m0/s1.
What are the key properties of methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate?
methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate has a molecular weight of 318.32 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-[(2R,3S)-3-methoxycarbonyl-6-methyl-1,4-dioxan-2-yl]-6-methyl-1,4-dioxane-2-carboxylate is sourced from PubChem (CID 87492191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).