4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol

C12H24O4 — CID 21303483

IUPAC4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCO/C=C/OCCC(C)(C)O
InChIInChI=1S/C12H24O4/c1-11(2,13)5-7-15-9-10-16-8-6-12(3,4)14/h9-10,13-14H,5-8H2,1-4H3/b10-9+
InChIKeyGMQMSYJTFSPVEP-MDZDMXLPSA-N
MW232.32 g/mol
LogP1.81
Rot. Bonds8

About 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol

4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol (PubChem CID 21303483) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol
PubChem CID21303483
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCO/C=C/OCCC(C)(C)O
InChIInChI=1S/C12H24O4/c1-11(2,13)5-7-15-9-10-16-8-6-12(3,4)14/h9-10,13-14H,5-8H2,1-4H3/b10-9+
InChIKeyGMQMSYJTFSPVEP-MDZDMXLPSA-N
XLogP1.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 21880831
Ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 21960791
Ethene;ethenoxyethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 22174281
4-[2-(3-Hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol
CID 73768605
3-(3-Ethenoxy-3-methylbutoxy)-3-methylbutan-1-ol
CID 134485186
1,3-Bis(ethenoxy)-2,2-dimethylpropane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 162235214
1,3-Bis(ethenoxy)-3-methylbutane
CID 174478826
2-(1-Ethenoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 174931154
3-Ethenoxy-3-methylbutan-1-ol
CID 177700913
1-Ethenoxy-2-(ethenoxymethyl)butan-2-ol
CID 101089670
1-Ethenoxy-3-methoxy-3-methylbutane
CID 106665515

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol (CID 21303483) is 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol is CC(C)(O)CCO/C=C/OCCC(C)(C)O.
What is the InChIKey of 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol?
The InChIKey is GMQMSYJTFSPVEP-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H24O4/c1-11(2,13)5-7-15-9-10-16-8-6-12(3,4)14/h9-10,13-14H,5-8H2,1-4H3/b10-9+.
What are the key properties of 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol?
4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol has a molecular weight of 232.32 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 21303483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).