2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane

C12H30O3 — CID 159142277

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
SMILESCCC.CCC.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C3H8/c1-2-6(3-7,4-8)5-9;2*1-3-2/h7-9H,2-5H2,1H3;2*3H2,1-2H3
InChIKeyKIFUWMUOGXPXSF-UHFFFAOYSA-N
MW222.37 g/mol
LogP2.19
Rot. Bonds4

About 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane (PubChem CID 159142277) has the molecular formula C12H30O3 and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
PubChem CID159142277
Molecular FormulaC12H30O3
Molecular Weight222.37 g/mol
Exact Mass222.22
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
SMILESCCC.CCC.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C3H8/c1-2-6(3-7,4-8)5-9;2*1-3-2/h7-9H,2-5H2,1H3;2*3H2,1-2H3
InChIKeyKIFUWMUOGXPXSF-UHFFFAOYSA-N
XLogP2.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
CID 87987203
CID 87987203
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 159069506
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 71338644
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 87346314
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;methylphosphonic acid
CID 89315364
2-ethyl-2-(hydroxymethyl)propane-1,3-diol trinitrate
CID 23002731
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-1-ene;hydrate
CID 174496072

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane (CID 159142277) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane is CCC.CCC.CCC(CO)(CO)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane?
The InChIKey is KIFUWMUOGXPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.2C3H8/c1-2-6(3-7,4-8)5-9;2*1-3-2/h7-9H,2-5H2,1H3;2*3H2,1-2H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane has a molecular weight of 222.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane is sourced from PubChem (CID 159142277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).