2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol

C13H24O3 — CID 57142945

IUPAC2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol
SMILESC=CCOCC(CC)(CO)COCC=CC
InChIInChI=1S/C13H24O3/c1-4-7-9-16-12-13(6-3,10-14)11-15-8-5-2/h4-5,7,14H,2,6,8-12H2,1,3H3
InChIKeyJQAXQUGLBUTIDV-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.17
Rot. Bonds10

About 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol

2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol (PubChem CID 57142945) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol.

Molecular Properties

Compound Name2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol
PubChem CID57142945
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol
SMILESC=CCOCC(CC)(CO)COCC=CC
InChIInChI=1S/C13H24O3/c1-4-7-9-16-12-13(6-3,10-14)11-15-8-5-2/h4-5,7,14H,2,6,8-12H2,1,3H3
InChIKeyJQAXQUGLBUTIDV-UHFFFAOYSA-N
XLogP2.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol?
The IUPAC name of 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol (CID 57142945) is 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol.
What is the SMILES notation for 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol?
The canonical SMILES for 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol is C=CCOCC(CC)(CO)COCC=CC.
What is the InChIKey of 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol?
The InChIKey is JQAXQUGLBUTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-7-9-16-12-13(6-3,10-14)11-15-8-5-2/h4-5,7,14H,2,6,8-12H2,1,3H3.
What are the key properties of 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol?
2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-enoxymethyl)-2-(prop-2-enoxymethyl)butan-1-ol is sourced from PubChem (CID 57142945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).