1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

C15H30O5 — CID 162235214

IUPAC1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COCC(C)(C)COC=C.CCC(CO)(CO)CO
InChIInChI=1S/C9H16O2.C6H14O3/c1-5-10-7-9(3,4)8-11-6-2;1-2-6(3-7,4-8)5-9/h5-6H,1-2,7-8H2,3-4H3;7-9H,2-5H2,1H3
InChIKeyZVYUCBUFACTTQS-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.69
Rot. Bonds10

About 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 162235214) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PubChem CID162235214
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COCC(C)(C)COC=C.CCC(CO)(CO)CO
InChIInChI=1S/C9H16O2.C6H14O3/c1-5-10-7-9(3,4)8-11-6-2;1-2-6(3-7,4-8)5-9/h5-6H,1-2,7-8H2,3-4H3;7-9H,2-5H2,1H3
InChIKeyZVYUCBUFACTTQS-UHFFFAOYSA-N
XLogP1.69
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol (CID 162235214) is 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is C=COCC(C)(C)COC=C.CCC(CO)(CO)CO.
What is the InChIKey of 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ZVYUCBUFACTTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C6H14O3/c1-5-10-7-9(3,4)8-11-6-2;1-2-6(3-7,4-8)5-9/h5-6H,1-2,7-8H2,3-4H3;7-9H,2-5H2,1H3.
What are the key properties of 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol?
1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 290.40 g/mol, XLogP of 1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 162235214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).