dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate

C9H12O5 — CID 135028564

IUPACdimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=C[C@H](O)C[C@@H]1C(=O)OC
InChIInChI=1S/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,5,7,10H,4H2,1-2H3/t5-,7-/m0/s1
InChIKeyZARKYUCGESJJAO-FSPLSTOPSA-N
MW200.19 g/mol
LogP-0.36
Rot. Bonds2

About dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate

dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate (PubChem CID 135028564) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate
PubChem CID135028564
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namedimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=C[C@H](O)C[C@@H]1C(=O)OC
InChIInChI=1S/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,5,7,10H,4H2,1-2H3/t5-,7-/m0/s1
InChIKeyZARKYUCGESJJAO-FSPLSTOPSA-N
XLogP-0.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aS,5R,6E,10Z,11aR)-5-hydroxy-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl 2-methylpropanoate
CID 12039269
6Beta-Hydroxygenipin
CID 71577496
(4R,5E,8S,9S)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),5-dien-11-one
CID 155545452
(4S,5E,8S,9S)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),5-dien-11-one
CID 155565382
[(3aR,5S,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
CID 162643671
[(3aR,5R,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
CID 162646766
Pedicularislactone
CID 10888602
(3aS,5S,6E,10Z,11aR)-5-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 14312127
(3aS,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 163030325
4,5-Bis(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 85303656
(3aS,5S,6Z,10Z,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 101316961
5-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 163030323

Frequently Asked Questions

What is the IUPAC name of dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate (CID 135028564) is dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate is COC(=O)C1=C[C@H](O)C[C@@H]1C(=O)OC.
What is the InChIKey of dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate?
The InChIKey is ZARKYUCGESJJAO-FSPLSTOPSA-N. The full InChI is InChI=1S/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,5,7,10H,4H2,1-2H3/t5-,7-/m0/s1.
What are the key properties of dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate?
dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate has a molecular weight of 200.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 135028564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).