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

C11H26O7 — CID 174687699

IUPACacetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane
SMILESCC(=O)O.CCOCC.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C4H10O.C2H4O2/c6-1-5(2-7,3-8)4-9;1-3-5-4-2;1-2(3)4/h6-9H,1-4H2;3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyLHEDIADOIIAKAI-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.92
Rot. Bonds6

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

acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane (PubChem CID 174687699) has the molecular formula C11H26O7 and a molecular weight of 270.32 g/mol. Its IUPAC name is acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane.

Molecular Properties

Compound Nameacetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane
PubChem CID174687699
Molecular FormulaC11H26O7
Molecular Weight270.32 g/mol
Exact Mass270.17
IUPAC Nameacetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane
SMILESCC(=O)O.CCOCC.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C4H10O.C2H4O2/c6-1-5(2-7,3-8)4-9;1-3-5-4-2;1-2(3)4/h6-9H,1-4H2;3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyLHEDIADOIIAKAI-UHFFFAOYSA-N
XLogP-0.92
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
acetic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 159579214
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 71338644
acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
acetic acid;butane-2,3-diol;ethoxyethane
CID 174725682
acetic acid;2-(hydroxymethyl)-2-(sulfanylmethyl)propane-1,3-diol
CID 173449668
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
2,2-bis(hydroxymethyl)propane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 173221405
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(3-oxobutanoic acid)
CID 160605037
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane?
The IUPAC name of acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane (CID 174687699) is acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane.
What is the SMILES notation for acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane?
The canonical SMILES for acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane is CC(=O)O.CCOCC.OCC(CO)(CO)CO.
What is the InChIKey of acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane?
The InChIKey is LHEDIADOIIAKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.C4H10O.C2H4O2/c6-1-5(2-7,3-8)4-9;1-3-5-4-2;1-2(3)4/h6-9H,1-4H2;3-4H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane?
acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane has a molecular weight of 270.32 g/mol, XLogP of -0.92, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane is sourced from PubChem (CID 174687699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).