2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol

C14H34O10 — CID 174840127

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol
SMILESOCC(CO)(CO)CO.OCC(O)CO.OCCCC(CO)CO
InChIInChI=1S/C6H14O3.C5H12O4.C3H8O3/c7-3-1-2-6(4-8)5-9;6-1-5(2-7,3-8)4-9;4-1-3(6)2-5/h6-9H,1-5H2;6-9H,1-4H2;3-6H,1-2H2
InChIKeyKLADNQVMIRBHTH-UHFFFAOYSA-N
MW362.42 g/mol
LogP-4.37
Rot. Bonds11

About 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol

2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol (PubChem CID 174840127) has the molecular formula C14H34O10 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol
PubChem CID174840127
Molecular FormulaC14H34O10
Molecular Weight362.42 g/mol
Exact Mass362.22
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol
SMILESOCC(CO)(CO)CO.OCC(O)CO.OCCCC(CO)CO
InChIInChI=1S/C6H14O3.C5H12O4.C3H8O3/c7-3-1-2-6(4-8)5-9;6-1-5(2-7,3-8)4-9;4-1-3(6)2-5/h6-9H,1-5H2;6-9H,1-4H2;3-6H,1-2H2
InChIKeyKLADNQVMIRBHTH-UHFFFAOYSA-N
XLogP-4.37
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 5-4.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol with MolForge

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Related Compounds

2-(hydroxymethyl)nonadecane-1,19-diol
CID 18361656
2-(hydroxymethyl)pentane-1,5-diol;isocyanic acid
CID 87858570
2-(hydroxymethyl)pentane-1,5-diol;tris(nitric acid)
CID 173418102
2,2,5-tris(hydroxymethyl)hexane-1,6-diol
CID 22166300
2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 158333074
hexane-1,2,5-triol;hexane-1,3,6-triol
CID 175569884
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
13,13-bis[12-hydroxy-9-(3-hydroxypropyl)dodecyl]-4,4,22,22-tetrakis(3-hydroxypropyl)pentacosane-1,25-diol
CID 19814918
2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol (CID 174840127) is 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol is OCC(CO)(CO)CO.OCC(O)CO.OCCCC(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol?
The InChIKey is KLADNQVMIRBHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C5H12O4.C3H8O3/c7-3-1-2-6(4-8)5-9;6-1-5(2-7,3-8)4-9;4-1-3(6)2-5/h6-9H,1-5H2;6-9H,1-4H2;3-6H,1-2H2.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol?
2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol has a molecular weight of 362.42 g/mol, XLogP of -4.37, 11 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)pentane-1,5-diol;propane-1,2,3-triol is sourced from PubChem (CID 174840127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).