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

C7H16O4 — CID 175057771

IUPAC2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)COCO
InChIInChI=1S/C7H16O4/c1-2-7(3-8,4-9)5-11-6-10/h8-10H,2-6H2,1H3
InChIKeyHMRHWPSTLUPYDO-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.67
Rot. Bonds6

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

2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol (PubChem CID 175057771) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
PubChem CID175057771
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
SMILESCCC(CO)(CO)COCO
InChIInChI=1S/C7H16O4/c1-2-7(3-8,4-9)5-11-6-10/h8-10H,2-6H2,1H3
InChIKeyHMRHWPSTLUPYDO-UHFFFAOYSA-N
XLogP-0.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol
CID 15066032
2-[[2-[1,3-bis[2,2-bis(hydroxymethyl)butoxy]propan-2-yloxy]-3-[2-ethyl-2-(hydroxymethyl)butoxy]propoxy]methyl]-2-ethylpropane-1,3-diol
CID 135274617
2-ethyl-2-(octoxymethyl)propane-1,3-diol
CID 11345608
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
2,2-bis(prop-2-enoxymethyl)butan-1-ol;titanium(3+)
CID 175725412
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
CID 88725463
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol
CID 164930760
2,2-bis(decoxymethyl)butan-1-ol
CID 71361310

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol (CID 175057771) is 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol is CCC(CO)(CO)COCO.
What is the InChIKey of 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol?
The InChIKey is HMRHWPSTLUPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-2-7(3-8,4-9)5-11-6-10/h8-10H,2-6H2,1H3.
What are the key properties of 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol?
2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol has a molecular weight of 164.20 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 175057771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).