2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol

C10H20O6 — CID 13386212

IUPAC2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCOC1(CO)OC(CO)C(O)C1O
InChIInChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3
InChIKeyXRGRZXPJJVQDJO-UHFFFAOYSA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds6

About 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol

2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 13386212) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID13386212
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCOC1(CO)OC(CO)C(O)C1O
InChIInChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3
InChIKeyXRGRZXPJJVQDJO-UHFFFAOYSA-N
XLogP-1.40
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol (CID 13386212) is 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol is CCCCOC1(CO)OC(CO)C(O)C1O.
What is the InChIKey of 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is XRGRZXPJJVQDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3.
What are the key properties of 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 13386212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).