dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate

C15H28O7 — CID 14240103

IUPACdimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate
SMILESCOC(=O)[C@H](C)C[C@H](OC)C(O)[C@H](C[C@@H](C)C(=O)OC)OC
InChIInChI=1S/C15H28O7/c1-9(14(17)21-5)7-11(19-3)13(16)12(20-4)8-10(2)15(18)22-6/h9-13,16H,7-8H2,1-6H3/t9-,10-,11+,12+/m1/s1
InChIKeyMZDMTDIDLHRPTO-WYUUTHIRSA-N
MW320.38 g/mol
LogP0.78
Rot. Bonds10

About dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate

dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate (PubChem CID 14240103) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate.

Molecular Properties

Compound Namedimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate
PubChem CID14240103
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Namedimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate
SMILESCOC(=O)[C@H](C)C[C@H](OC)C(O)[C@H](C[C@@H](C)C(=O)OC)OC
InChIInChI=1S/C15H28O7/c1-9(14(17)21-5)7-11(19-3)13(16)12(20-4)8-10(2)15(18)22-6/h9-13,16H,7-8H2,1-6H3/t9-,10-,11+,12+/m1/s1
InChIKeyMZDMTDIDLHRPTO-WYUUTHIRSA-N
XLogP0.78
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate?
The IUPAC name of dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate (CID 14240103) is dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate.
What is the SMILES notation for dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate?
The canonical SMILES for dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate is COC(=O)[C@H](C)C[C@H](OC)C(O)[C@H](C[C@@H](C)C(=O)OC)OC.
What is the InChIKey of dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate?
The InChIKey is MZDMTDIDLHRPTO-WYUUTHIRSA-N. The full InChI is InChI=1S/C15H28O7/c1-9(14(17)21-5)7-11(19-3)13(16)12(20-4)8-10(2)15(18)22-6/h9-13,16H,7-8H2,1-6H3/t9-,10-,11+,12+/m1/s1.
What are the key properties of dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate?
dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate has a molecular weight of 320.38 g/mol, XLogP of 0.78, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate is sourced from PubChem (CID 14240103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).