ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate

C14H26O8 — CID 129121074

IUPACethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(O)C(O)[C@H]1COC(C)(OC)C(C)(OC)O1
InChIInChI=1S/C14H26O8/c1-7-20-11(16)12(2,17)10(15)9-8-21-13(3,18-5)14(4,19-6)22-9/h9-10,15,17H,7-8H2,1-6H3/t9-,10?,12?,13?,14?/m1/s1
InChIKeyZHKIRYHMFZTBAS-JHERBYNOSA-N
MW322.35 g/mol
LogP-0.20
Rot. Bonds6

About ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate

ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate (PubChem CID 129121074) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate
PubChem CID129121074
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Nameethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(O)C(O)[C@H]1COC(C)(OC)C(C)(OC)O1
InChIInChI=1S/C14H26O8/c1-7-20-11(16)12(2,17)10(15)9-8-21-13(3,18-5)14(4,19-6)22-9/h9-10,15,17H,7-8H2,1-6H3/t9-,10?,12?,13?,14?/m1/s1
InChIKeyZHKIRYHMFZTBAS-JHERBYNOSA-N
XLogP-0.20
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate?
The IUPAC name of ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate (CID 129121074) is ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate is CCOC(=O)C(C)(O)C(O)[C@H]1COC(C)(OC)C(C)(OC)O1.
What is the InChIKey of ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate?
The InChIKey is ZHKIRYHMFZTBAS-JHERBYNOSA-N. The full InChI is InChI=1S/C14H26O8/c1-7-20-11(16)12(2,17)10(15)9-8-21-13(3,18-5)14(4,19-6)22-9/h9-10,15,17H,7-8H2,1-6H3/t9-,10?,12?,13?,14?/m1/s1.
What are the key properties of ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate?
ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate has a molecular weight of 322.35 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-2,3-dihydroxy-2-methylpropanoate is sourced from PubChem (CID 129121074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).