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

C8H18O6 — CID 134895090

IUPAC(2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol
SMILESCOCO[C@@H](CO)[C@@H](CO)OCOC
InChIInChI=1S/C8H18O6/c1-11-5-13-7(3-9)8(4-10)14-6-12-2/h7-10H,3-6H2,1-2H3/t7-,8+
InChIKeyXVLLHXOANNRBLV-OCAPTIKFSA-N
MW210.23 g/mol
LogP-1.05
Rot. Bonds9

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

(2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol (PubChem CID 134895090) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol.

Molecular Properties

Compound Name(2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol
PubChem CID134895090
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name(2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol
SMILESCOCO[C@@H](CO)[C@@H](CO)OCOC
InChIInChI=1S/C8H18O6/c1-11-5-13-7(3-9)8(4-10)14-6-12-2/h7-10H,3-6H2,1-2H3/t7-,8+
InChIKeyXVLLHXOANNRBLV-OCAPTIKFSA-N
XLogP-1.05
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol?
The IUPAC name of (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol (CID 134895090) is (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol.
What is the SMILES notation for (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol?
The canonical SMILES for (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol is COCO[C@@H](CO)[C@@H](CO)OCOC.
What is the InChIKey of (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol?
The InChIKey is XVLLHXOANNRBLV-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H18O6/c1-11-5-13-7(3-9)8(4-10)14-6-12-2/h7-10H,3-6H2,1-2H3/t7-,8+.
What are the key properties of (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol?
(2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol has a molecular weight of 210.23 g/mol, XLogP of -1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis(methoxymethoxy)butane-1,4-diol is sourced from PubChem (CID 134895090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).