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

C12H24O4 — CID 173289194

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene
SMILESCC=COC=CC.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.C6H10O/c1-2-6(3-7,4-8)5-9;1-3-5-7-6-4-2/h7-9H,2-5H2,1H3;3-6H,1-2H3
InChIKeyURPVWKCVVIWRCW-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.43
Rot. Bonds6

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

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene (PubChem CID 173289194) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene
PubChem CID173289194
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene
SMILESCC=COC=CC.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.C6H10O/c1-2-6(3-7,4-8)5-9;1-3-5-7-6-4-2/h7-9H,2-5H2,1H3;3-6H,1-2H3
InChIKeyURPVWKCVVIWRCW-UHFFFAOYSA-N
XLogP1.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-1-ene;hydrate
CID 174496072
2,2-bis(prop-1-enoxymethyl)propane-1,3-diol
CID 87248423
CID 87987203
CID 87987203
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 87346314
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 159069506
tris((Z)-but-2-enoic acid);2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 160565232
1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
CID 15357021
1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane
CID 57006238
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene (CID 173289194) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene is CC=COC=CC.CCC(CO)(CO)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene?
The InChIKey is URPVWKCVVIWRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C6H10O/c1-2-6(3-7,4-8)5-9;1-3-5-7-6-4-2/h7-9H,2-5H2,1H3;3-6H,1-2H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene has a molecular weight of 232.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene is sourced from PubChem (CID 173289194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).