(2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol

C8H18O6 — CID 58565866

IUPAC(2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol
SMILESOC[C@H](CCOO)[C@H](CO)CCOO
InChIInChI=1S/C8H18O6/c9-5-7(1-3-13-11)8(6-10)2-4-14-12/h7-12H,1-6H2/t7-,8-/m0/s1
InChIKeySJKATRMRCPAWOS-YUMQZZPRSA-N
MW210.23 g/mol
LogP-0.04
Rot. Bonds9

About (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol

(2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol (PubChem CID 58565866) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol
PubChem CID58565866
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name(2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol
SMILESOC[C@H](CCOO)[C@H](CO)CCOO
InChIInChI=1S/C8H18O6/c9-5-7(1-3-13-11)8(6-10)2-4-14-12/h7-12H,1-6H2/t7-,8-/m0/s1
InChIKeySJKATRMRCPAWOS-YUMQZZPRSA-N
XLogP-0.04
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,4-dihydroperoxybutan-2-ol
CID 57220636
1-hydroperoxy-3-methoxybutane
CID 18475070
4-hydroperoxy-1-(4-hydroperoxy-2-methylbutoxy)-2-methylbutane
CID 88736696
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
calcium;hydride;2-hydroperoxyethanol
CID 174969013
1,3-dihydroperoxypropane
CID 87409456
2-butyl-3-propylbutane-1,4-diol
CID 87266771
4-hydroperoxybutane-1,1,2,2-tetrol
CID 155629719
4-hydroperoxy-2-(methylamino)butanoic acid
CID 59881531
2-(hydroxymethyl)butane-1,1,4-triol
CID 87270153
2-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
1-hydroperoxy-6-methylheptane
CID 87470675

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol?
The IUPAC name of (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol (CID 58565866) is (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol.
What is the SMILES notation for (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol?
The canonical SMILES for (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol is OC[C@H](CCOO)[C@H](CO)CCOO.
What is the InChIKey of (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol?
The InChIKey is SJKATRMRCPAWOS-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18O6/c9-5-7(1-3-13-11)8(6-10)2-4-14-12/h7-12H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol?
(2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol has a molecular weight of 210.23 g/mol, XLogP of -0.04, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(2-hydroperoxyethyl)butane-1,4-diol is sourced from PubChem (CID 58565866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).