(2R)-2-(methoxymethoxy)butane-1,4-diol

C6H14O4 — CID 10888079

IUPAC(2R)-2-(methoxymethoxy)butane-1,4-diol
SMILESCOCO[C@@H](CO)CCO
InChIInChI=1S/C6H14O4/c1-9-5-10-6(4-8)2-3-7/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKeyVHPOTSIJHJWYAG-ZCFIWIBFSA-N
MW150.17 g/mol
LogP-0.65
Rot. Bonds6

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

(2R)-2-(methoxymethoxy)butane-1,4-diol (PubChem CID 10888079) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (2R)-2-(methoxymethoxy)butane-1,4-diol.

Molecular Properties

Compound Name(2R)-2-(methoxymethoxy)butane-1,4-diol
PubChem CID10888079
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(2R)-2-(methoxymethoxy)butane-1,4-diol
SMILESCOCO[C@@H](CO)CCO
InChIInChI=1S/C6H14O4/c1-9-5-10-6(4-8)2-3-7/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKeyVHPOTSIJHJWYAG-ZCFIWIBFSA-N
XLogP-0.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-(methoxymethoxy)butane-1,4-diol?
The IUPAC name of (2R)-2-(methoxymethoxy)butane-1,4-diol (CID 10888079) is (2R)-2-(methoxymethoxy)butane-1,4-diol.
What is the SMILES notation for (2R)-2-(methoxymethoxy)butane-1,4-diol?
The canonical SMILES for (2R)-2-(methoxymethoxy)butane-1,4-diol is COCO[C@@H](CO)CCO.
What is the InChIKey of (2R)-2-(methoxymethoxy)butane-1,4-diol?
The InChIKey is VHPOTSIJHJWYAG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14O4/c1-9-5-10-6(4-8)2-3-7/h6-8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-(methoxymethoxy)butane-1,4-diol?
(2R)-2-(methoxymethoxy)butane-1,4-diol has a molecular weight of 150.17 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethoxy)butane-1,4-diol is sourced from PubChem (CID 10888079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).