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

C14H30O7 — CID 175404874

IUPAC2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)COCC(CO)(CO)COCC(CO)(CO)CO
InChIInChI=1S/C14H30O7/c1-12(2)3-20-10-14(7-18,8-19)11-21-9-13(4-15,5-16)6-17/h12,15-19H,3-11H2,1-2H3
InChIKeyLJVNJJCZLYUQCX-UHFFFAOYSA-N
MW310.39 g/mol
LogP-1.39
Rot. Bonds13

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

2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 175404874) has the molecular formula C14H30O7 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID175404874
Molecular FormulaC14H30O7
Molecular Weight310.39 g/mol
Exact Mass310.20
IUPAC Name2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)COCC(CO)(CO)COCC(CO)(CO)CO
InChIInChI=1S/C14H30O7/c1-12(2)3-20-10-14(7-18,8-19)11-21-9-13(4-15,5-16)6-17/h12,15-19H,3-11H2,1-2H3
InChIKeyLJVNJJCZLYUQCX-UHFFFAOYSA-N
XLogP-1.39
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol with MolForge

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Related Compounds

2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
CID 21493299
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol
CID 123831120
2-[[2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 167106238
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
CID 174805597
acetic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 159579214
1-[2-[2-[1-[3-(2-hydroxypropoxy)-2-[2-[1-[3-(2-hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)-3-(2-methylpropoxy)propoxy]propan-2-ol
CID 162486786
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238
[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propyl] 2-hydroxy-16-methylheptadecanoate
CID 141454855
2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 161328567
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol (CID 175404874) is 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol is CC(C)COCC(CO)(CO)COCC(CO)(CO)CO.
What is the InChIKey of 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is LJVNJJCZLYUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O7/c1-12(2)3-20-10-14(7-18,8-19)11-21-9-13(4-15,5-16)6-17/h12,15-19H,3-11H2,1-2H3.
What are the key properties of 2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?
2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 310.39 g/mol, XLogP of -1.39, 13 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-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 175404874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).