tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate

C14H18O9 — CID 139055945

IUPACtetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate
SMILESCOC(=O)C1=C(O)[C@H](C(=O)OC)CC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C14H18O9/c1-20-10(16)7-5-14(12(18)22-3,13(19)23-4)6-8(9(7)15)11(17)21-2/h7,15H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyHCOMEORDVZCZTG-SSDOTTSWSA-N
MW330.29 g/mol
LogP-0.11
Rot. Bonds4

About tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate

tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate (PubChem CID 139055945) has the molecular formula C14H18O9 and a molecular weight of 330.29 g/mol. Its IUPAC name is tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate
PubChem CID139055945
Molecular FormulaC14H18O9
Molecular Weight330.29 g/mol
Exact Mass330.10
IUPAC Nametetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate
SMILESCOC(=O)C1=C(O)[C@H](C(=O)OC)CC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C14H18O9/c1-20-10(16)7-5-14(12(18)22-3,13(19)23-4)6-8(9(7)15)11(17)21-2/h7,15H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyHCOMEORDVZCZTG-SSDOTTSWSA-N
XLogP-0.11
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,6-Dihydroxy-3,7-di(methoxycarbonyl)bicyclo[3.3.1]nona-2,6-diene-1,5-dicarboxylic acid
CID 54684636
Tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate
CID 54682539
Methyl 4-hydroxy-6,6-dimethyl-2-oxo-3-(1-oxobutyl)cyclohex-3enecarboxylate
CID 14400606
Tetramethyl 3,7-dihydroxybicyclo[3.3.1]nona-2,6-diene-2,4,6,8-tetracarboxylate
CID 54677076
dimethyl (3S,6S)-6-hydroxy-3-(2-methoxy-2-oxoethyl)-3-methylcyclohexene-1,2-dicarboxylate
CID 11197342
Tetramethyl cis,cis-3,7-dihydroxy-1,5-dimethylbicyclo[3.3.0]octa-2,6-diene-2,4-exo,6,8-exo-tetracarboxylate
CID 139060408
Tetramethyl 3,7-dihydroxybicyclo[3.3.1]nona-2,7-diene-2,4,6,8-tetracarboxylate
CID 139246446
O3,O6-diethyl O1,O4-dimethyl 2-hydroxy-3a,5,6a-trimethyl-1,4-dihydropentalene-1,3,4,6-tetracarboxylate
CID 54707719
sodium 3-O,6-O-diethyl 1-O,4-O-dimethyl (3aS,6aS)-2-hydroxy-3a,5,6a-trimethyl-1,4-dihydropentalene-1,3,4,6-tetracarboxylate
CID 54723288
3,8-Dihydroxybicyclo[3.3.1]nona-1(8),3-diene-2,4,6,9-tetracarboxylic acid, tetramethyl ester
CID 54687230
CID 98089501
CID 98089501
tetramethyl (1S,3aR,4R,6aR)-3a-ethyl-2,5-dihydroxy-6a-methyl-1,4-dihydropentalene-1,3,4,6-tetracarboxylate
CID 98126910

Frequently Asked Questions

What is the IUPAC name of tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate?
The IUPAC name of tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate (CID 139055945) is tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate.
What is the SMILES notation for tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate?
The canonical SMILES for tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate is COC(=O)C1=C(O)[C@H](C(=O)OC)CC(C(=O)OC)(C(=O)OC)C1.
What is the InChIKey of tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate?
The InChIKey is HCOMEORDVZCZTG-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H18O9/c1-20-10(16)7-5-14(12(18)22-3,13(19)23-4)6-8(9(7)15)11(17)21-2/h7,15H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate?
tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate has a molecular weight of 330.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (5R)-4-hydroxycyclohex-3-ene-1,1,3,5-tetracarboxylate is sourced from PubChem (CID 139055945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).