[(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury

C8H16HgO2 — CID 11725084

IUPAC[(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury
SMILESCO[C@H]1[C@H](C[Hg]C)CC[C@H]1O
InChIInChI=1S/C7H13O2.CH3.Hg/c1-5-3-4-6(8)7(5)9-2;;/h5-8H,1,3-4H2,2H3;1H3;/t5-,6-,7+;;/m1../s1
InChIKeyUWIURBUYJAPWQF-ZPBHNMEYSA-N
MW344.80 g/mol
LogP1.32
Rot. Bonds3

About [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury

[(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury (PubChem CID 11725084) has the molecular formula C8H16HgO2 and a molecular weight of 344.80 g/mol. Its IUPAC name is [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury.

Molecular Properties

Compound Name[(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury
PubChem CID11725084
Molecular FormulaC8H16HgO2
Molecular Weight344.80 g/mol
Exact Mass346.09
IUPAC Name[(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury
SMILESCO[C@H]1[C@H](C[Hg]C)CC[C@H]1O
InChIInChI=1S/C7H13O2.CH3.Hg/c1-5-3-4-6(8)7(5)9-2;;/h5-8H,1,3-4H2,2H3;1H3;/t5-,6-,7+;;/m1../s1
InChIKeyUWIURBUYJAPWQF-ZPBHNMEYSA-N
XLogP1.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2,4-dimethoxy-3,5-dimethylcycloheptan-1-ol
CID 130360949
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
3-[3-(2-methoxyethoxy)propyl]-2-methylcyclopentan-1-ol
CID 103413817
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
2-methyl-3-(propoxymethyl)cyclopentan-1-ol
CID 79568785
4-methoxycyclohexane-1,2,3-triol
CID 54277163
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
CID 102463401
(1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol
CID 44573139
methyl 2-hydroxy-5-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
CID 122550677

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury?
The IUPAC name of [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury (CID 11725084) is [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury.
What is the SMILES notation for [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury?
The canonical SMILES for [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury is CO[C@H]1[C@H](C[Hg]C)CC[C@H]1O.
What is the InChIKey of [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury?
The InChIKey is UWIURBUYJAPWQF-ZPBHNMEYSA-N. The full InChI is InChI=1S/C7H13O2.CH3.Hg/c1-5-3-4-6(8)7(5)9-2;;/h5-8H,1,3-4H2,2H3;1H3;/t5-,6-,7+;;/m1../s1.
What are the key properties of [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury?
[(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury has a molecular weight of 344.80 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-3-hydroxy-2-methoxycyclopentyl]methyl-methylmercury is sourced from PubChem (CID 11725084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).