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

C6H14O3 — CID 6510

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CO
InChIInChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChIKeyZJCCRDAZUWHFQH-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.64
Rot. Bonds4

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

2-ethyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 6510) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID6510
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CO
InChIInChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChIKeyZJCCRDAZUWHFQH-UHFFFAOYSA-N
XLogP-0.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol (CID 6510) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol is CCC(CO)(CO)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ZJCCRDAZUWHFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 134.18 g/mol, XLogP of -0.64, 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 is sourced from PubChem (CID 6510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).