2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol

C11H22O7 — CID 11971048

IUPAC2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol
SMILESOCC(CO)(CO)COCC1(CO)COCOC1
InChIInChI=1S/C11H22O7/c12-1-10(2-13,3-14)5-16-6-11(4-15)7-17-9-18-8-11/h12-15H,1-9H2
InChIKeyRFMRTKNDQKLJJS-UHFFFAOYSA-N
MW266.29 g/mol
LogP-2.05
Rot. Bonds8

About 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol

2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol (PubChem CID 11971048) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol
PubChem CID11971048
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol
SMILESOCC(CO)(CO)COCC1(CO)COCOC1
InChIInChI=1S/C11H22O7/c12-1-10(2-13,3-14)5-16-6-11(4-15)7-17-9-18-8-11/h12-15H,1-9H2
InChIKeyRFMRTKNDQKLJJS-UHFFFAOYSA-N
XLogP-2.05
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol (CID 11971048) is 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol is OCC(CO)(CO)COCC1(CO)COCOC1.
What is the InChIKey of 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol?
The InChIKey is RFMRTKNDQKLJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7/c12-1-10(2-13,3-14)5-16-6-11(4-15)7-17-9-18-8-11/h12-15H,1-9H2.
What are the key properties of 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol?
2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol has a molecular weight of 266.29 g/mol, XLogP of -2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol is sourced from PubChem (CID 11971048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).