2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol

C11H24O4 — CID 11644235

IUPAC2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
SMILESCCC(CO)(CO)CC(CC)(CO)CO
InChIInChI=1S/C11H24O4/c1-3-10(6-12,7-13)5-11(4-2,8-14)9-15/h12-15H,3-9H2,1-2H3
InChIKeyNGNPJDKRXPQJKT-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.14
Rot. Bonds8

About 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol

2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol (PubChem CID 11644235) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol.

Molecular Properties

Compound Name2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
PubChem CID11644235
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
SMILESCCC(CO)(CO)CC(CC)(CO)CO
InChIInChI=1S/C11H24O4/c1-3-10(6-12,7-13)5-11(4-2,8-14)9-15/h12-15H,3-9H2,1-2H3
InChIKeyNGNPJDKRXPQJKT-UHFFFAOYSA-N
XLogP0.14
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
CID 87987203
CID 87987203
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2-ethyl-2-(iodomethyl)propane-1,3-diol
CID 118585787
2-(bromomethyl)-2-ethylbutan-1-ol
CID 14105233
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 87346314
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 71338644

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol?
The IUPAC name of 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol (CID 11644235) is 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol.
What is the SMILES notation for 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol?
The canonical SMILES for 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol is CCC(CO)(CO)CC(CC)(CO)CO.
What is the InChIKey of 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol?
The InChIKey is NGNPJDKRXPQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-3-10(6-12,7-13)5-11(4-2,8-14)9-15/h12-15H,3-9H2,1-2H3.
What are the key properties of 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol?
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol has a molecular weight of 220.31 g/mol, XLogP of 0.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol is sourced from PubChem (CID 11644235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).