dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate

C10H16O5 — CID 58237130

IUPACdimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
SMILESCOC(=O)C1CC(O)CC(C(=O)OC)C1
InChIInChI=1S/C10H16O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h6-8,11H,3-5H2,1-2H3
InChIKeyWINOVBXKECSWMZ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.11
Rot. Bonds2

About dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate

dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate (PubChem CID 58237130) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
PubChem CID58237130
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namedimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
SMILESCOC(=O)C1CC(O)CC(C(=O)OC)C1
InChIInChI=1S/C10H16O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h6-8,11H,3-5H2,1-2H3
InChIKeyWINOVBXKECSWMZ-UHFFFAOYSA-N
XLogP0.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate (CID 58237130) is dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate is COC(=O)C1CC(O)CC(C(=O)OC)C1.
What is the InChIKey of dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate?
The InChIKey is WINOVBXKECSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h6-8,11H,3-5H2,1-2H3.
What are the key properties of dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate?
dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate is sourced from PubChem (CID 58237130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).