2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol

C10H20O5 — CID 58743772

IUPAC2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol
SMILESCC(C)CC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H20O5/c1-5(2)3-6-8(12)10(14)9(13)7(4-11)15-6/h5-14H,3-4H2,1-2H3
InChIKeyKBGLKGRFOLNGPJ-UHFFFAOYSA-N
MW220.26 g/mol
LogP-1.13
Rot. Bonds3

About 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol (PubChem CID 58743772) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol
PubChem CID58743772
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol
SMILESCC(C)CC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H20O5/c1-5(2)3-6-8(12)10(14)9(13)7(4-11)15-6/h5-14H,3-4H2,1-2H3
InChIKeyKBGLKGRFOLNGPJ-UHFFFAOYSA-N
XLogP-1.13
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol (CID 58743772) is 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol is CC(C)CC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol?
The InChIKey is KBGLKGRFOLNGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-5(2)3-6-8(12)10(14)9(13)7(4-11)15-6/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol has a molecular weight of 220.26 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol is sourced from PubChem (CID 58743772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).