(2R)-2-(methoxymethoxy)butane-1,3-diol

C6H14O4 — CID 87662516

IUPAC(2R)-2-(methoxymethoxy)butane-1,3-diol
SMILESCOCO[C@H](CO)C(C)O
InChIInChI=1S/C6H14O4/c1-5(8)6(3-7)10-4-9-2/h5-8H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyRHQLBILBCBQHQJ-PRJDIBJQSA-N
MW150.17 g/mol
LogP-0.65
Rot. Bonds5

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

(2R)-2-(methoxymethoxy)butane-1,3-diol (PubChem CID 87662516) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (2R)-2-(methoxymethoxy)butane-1,3-diol.

Molecular Properties

Compound Name(2R)-2-(methoxymethoxy)butane-1,3-diol
PubChem CID87662516
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(2R)-2-(methoxymethoxy)butane-1,3-diol
SMILESCOCO[C@H](CO)C(C)O
InChIInChI=1S/C6H14O4/c1-5(8)6(3-7)10-4-9-2/h5-8H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyRHQLBILBCBQHQJ-PRJDIBJQSA-N
XLogP-0.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-1,3-diol?
The IUPAC name of (2R)-2-(methoxymethoxy)butane-1,3-diol (CID 87662516) is (2R)-2-(methoxymethoxy)butane-1,3-diol.
What is the SMILES notation for (2R)-2-(methoxymethoxy)butane-1,3-diol?
The canonical SMILES for (2R)-2-(methoxymethoxy)butane-1,3-diol is COCO[C@H](CO)C(C)O.
What is the InChIKey of (2R)-2-(methoxymethoxy)butane-1,3-diol?
The InChIKey is RHQLBILBCBQHQJ-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H14O4/c1-5(8)6(3-7)10-4-9-2/h5-8H,3-4H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of (2R)-2-(methoxymethoxy)butane-1,3-diol?
(2R)-2-(methoxymethoxy)butane-1,3-diol has a molecular weight of 150.17 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethoxy)butane-1,3-diol is sourced from PubChem (CID 87662516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).