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

C10H22O7 — CID 71338644

IUPACacetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(=O)O.CC(=O)O.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C2H4O2/c1-2-6(3-7,4-8)5-9;2*1-2(3)4/h7-9H,2-5H2,1H3;2*1H3,(H,3,4)
InChIKeySHSDLGYNDJTWHD-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.46
Rot. Bonds4

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

acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 71338644) has the molecular formula C10H22O7 and a molecular weight of 254.28 g/mol. Its IUPAC name is acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Nameacetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID71338644
Molecular FormulaC10H22O7
Molecular Weight254.28 g/mol
Exact Mass254.14
IUPAC Nameacetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(=O)O.CC(=O)O.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C2H4O2/c1-2-6(3-7,4-8)5-9;2*1-2(3)4/h7-9H,2-5H2,1H3;2*1H3,(H,3,4)
InChIKeySHSDLGYNDJTWHD-UHFFFAOYSA-N
XLogP-0.46
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-but-2-enedioic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 21315665
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(prop-2-enoic acid)
CID 159422742
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
2,2-bis(hydroxymethyl)propane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 173221405
ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 158139440
tris((Z)-but-2-enoic acid);2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 160565232
potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)
CID 173388304
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
3,3-bis(hydroxymethyl)pentanoic acid
CID 123622659
3-ethyl-3-(hydroxymethyl)pentanoic acid
CID 18509345
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (CID 71338644) is acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is CC(=O)O.CC(=O)O.CCC(CO)(CO)CO.
What is the InChIKey of acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is SHSDLGYNDJTWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.2C2H4O2/c1-2-6(3-7,4-8)5-9;2*1-2(3)4/h7-9H,2-5H2,1H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 254.28 g/mol, XLogP of -0.46, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 71338644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).