dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate

C12H20O6 — CID 141412517

IUPACdimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
SMILESCOC(=O)C(O)C(O)(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H20O6/c1-17-10(14)9(13)12(16,11(15)18-2)8-6-4-3-5-7-8/h8-9,13,16H,3-7H2,1-2H3
InChIKeyLHYRYWFMMHQYNF-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.00
Rot. Bonds4

About dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate

dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate (PubChem CID 141412517) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namedimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
PubChem CID141412517
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namedimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
SMILESCOC(=O)C(O)C(O)(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H20O6/c1-17-10(14)9(13)12(16,11(15)18-2)8-6-4-3-5-7-8/h8-9,13,16H,3-7H2,1-2H3
InChIKeyLHYRYWFMMHQYNF-UHFFFAOYSA-N
XLogP0.00
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
CID 105477233
3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid
CID 67760146
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
CID 105496040
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
dimethyl 2,3-dihydroxy-2-methylbutanedioate
CID 22946220
dimethyl (2S,3S)-2,3-dihydroxy-2-methylbutanedioate
CID 59873550
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate
CID 79299214
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
methyl (3S)-2,2-dichloro-3-cyclohexyl-3-hydroxypropanoate
CID 12034295

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate?
The IUPAC name of dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate (CID 141412517) is dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate.
What is the SMILES notation for dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate?
The canonical SMILES for dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate is COC(=O)C(O)C(O)(C(=O)OC)C1CCCCC1.
What is the InChIKey of dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate?
The InChIKey is LHYRYWFMMHQYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-17-10(14)9(13)12(16,11(15)18-2)8-6-4-3-5-7-8/h8-9,13,16H,3-7H2,1-2H3.
What are the key properties of dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate?
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate has a molecular weight of 260.29 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate is sourced from PubChem (CID 141412517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).