trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate

C10H16O5 — CID 10330914

IUPACtrans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC(CO)C[C@H]1C(=O)OC
InChIInChI=1S/C10H16O5/c1-14-9(12)7-3-6(5-11)4-8(7)10(13)15-2/h6-8,11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyBYRUZJTXECMTBR-HTQZYQBOSA-N
MW216.23 g/mol
LogP-0.03
Rot. Bonds3

About trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate

trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate (PubChem CID 10330914) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
PubChem CID10330914
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nametrans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC(CO)C[C@H]1C(=O)OC
InChIInChI=1S/C10H16O5/c1-14-9(12)7-3-6(5-11)4-8(7)10(13)15-2/h6-8,11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyBYRUZJTXECMTBR-HTQZYQBOSA-N
XLogP-0.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
dimethyl 4-ethylcyclohexane-1,2-dicarboxylate
CID 123726982
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate
CID 167563404
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
CID 162089386
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237

Frequently Asked Questions

What is the IUPAC name of trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate?
The IUPAC name of trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate (CID 10330914) is trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate?
The canonical SMILES for trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate is COC(=O)[C@@H]1CC(CO)C[C@H]1C(=O)OC.
What is the InChIKey of trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate?
The InChIKey is BYRUZJTXECMTBR-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O5/c1-14-9(12)7-3-6(5-11)4-8(7)10(13)15-2/h6-8,11H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate?
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate has a molecular weight of 216.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 10330914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).