2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene

C24H48O10 — CID 173041629

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene
SMILESCCC(CO)(CO)CO.CCOCC(OCC)=C(OCC)OC(OCC)=C(COCC)OCC
InChIInChI=1S/C18H34O7.C6H14O3/c1-7-19-13-15(21-9-3)17(23-11-5)25-18(24-12-6)16(22-10-4)14-20-8-2;1-2-6(3-7,4-8)5-9/h7-14H2,1-6H3;7-9H,2-5H2,1H3
InChIKeyZPKYHCUPFMTKHI-UHFFFAOYSA-N
MW496.64 g/mol
LogP2.92
Rot. Bonds20

About 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene (PubChem CID 173041629) has the molecular formula C24H48O10 and a molecular weight of 496.64 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene
PubChem CID173041629
Molecular FormulaC24H48O10
Molecular Weight496.64 g/mol
Exact Mass496.32
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene
SMILESCCC(CO)(CO)CO.CCOCC(OCC)=C(OCC)OC(OCC)=C(COCC)OCC
InChIInChI=1S/C18H34O7.C6H14O3/c1-7-19-13-15(21-9-3)17(23-11-5)25-18(24-12-6)16(22-10-4)14-20-8-2;1-2-6(3-7,4-8)5-9/h7-14H2,1-6H3;7-9H,2-5H2,1H3
InChIKeyZPKYHCUPFMTKHI-UHFFFAOYSA-N
XLogP2.92
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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;ethyl 2-oxopropanoate
CID 157409750
2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
CID 175057771
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
CID 87987203
CID 87987203
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
(E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene
CID 88773644
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene (CID 173041629) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene is CCC(CO)(CO)CO.CCOCC(OCC)=C(OCC)OC(OCC)=C(COCC)OCC.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene?
The InChIKey is ZPKYHCUPFMTKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O7.C6H14O3/c1-7-19-13-15(21-9-3)17(23-11-5)25-18(24-12-6)16(22-10-4)14-20-8-2;1-2-6(3-7,4-8)5-9/h7-14H2,1-6H3;7-9H,2-5H2,1H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene has a molecular weight of 496.64 g/mol, XLogP of 2.92, 20 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene is sourced from PubChem (CID 173041629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).