2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol

C11H24O7 — CID 3024891

IUPAC2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCOCC(CO)(CO)COCC(CO)(CO)CO
InChIInChI=1S/C11H24O7/c1-17-7-11(5-15,6-16)9-18-8-10(2-12,3-13)4-14/h12-16H,2-9H2,1H3
InChIKeyNEOLZRRZILOFCB-UHFFFAOYSA-N
MW268.31 g/mol
LogP-2.42
Rot. Bonds11

About 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol

2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 3024891) has the molecular formula C11H24O7 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID3024891
Molecular FormulaC11H24O7
Molecular Weight268.31 g/mol
Exact Mass268.15
IUPAC Name2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCOCC(CO)(CO)COCC(CO)(CO)CO
InChIInChI=1S/C11H24O7/c1-17-7-11(5-15,6-16)9-18-8-10(2-12,3-13)4-14/h12-16H,2-9H2,1H3
InChIKeyNEOLZRRZILOFCB-UHFFFAOYSA-N
XLogP-2.42
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-2.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol (CID 3024891) is 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol is COCC(CO)(CO)COCC(CO)(CO)CO.
What is the InChIKey of 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is NEOLZRRZILOFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O7/c1-17-7-11(5-15,6-16)9-18-8-10(2-12,3-13)4-14/h12-16H,2-9H2,1H3.
What are the key properties of 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 268.31 g/mol, XLogP of -2.42, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 3024891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).