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

C10H22O3 — CID 88683214

IUPACethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESC=C.C=C.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C2H4/c1-2-6(3-7,4-8)5-9;2*1-2/h7-9H,2-5H2,1H3;2*1-2H2
InChIKeyWHIRSDYIEDEOCH-UHFFFAOYSA-N
MW190.28 g/mol
LogP0.96
Rot. Bonds4

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

ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 88683214) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Nameethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID88683214
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Nameethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESC=C.C=C.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C2H4/c1-2-6(3-7,4-8)5-9;2*1-2/h7-9H,2-5H2,1H3;2*1-2H2
InChIKeyWHIRSDYIEDEOCH-UHFFFAOYSA-N
XLogP0.96
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
CID 87987203
CID 87987203
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-1-ene;hydrate
CID 174496072
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;methylphosphonic acid
CID 89315364
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 87346314
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 159069506
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 71338644
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2-ethyl-2-(hydroxymethyl)propane-1,3-diol trinitrate
CID 23002731

Frequently Asked Questions

What is the IUPAC name of ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (CID 88683214) is ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is C=C.C=C.CCC(CO)(CO)CO.
What is the InChIKey of ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is WHIRSDYIEDEOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.2C2H4/c1-2-6(3-7,4-8)5-9;2*1-2/h7-9H,2-5H2,1H3;2*1-2H2.
What are the key properties of ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 190.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 88683214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).