2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol

C13H24O3 — CID 155242968

IUPAC2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol
SMILESC=CCOCC(CC)(CO)C(C)OCC=C
InChIInChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14)12(4)16-9-6-2/h5-6,12,14H,1-2,7-11H2,3-4H3
InChIKeyCTYXOZOPRGAMSR-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.17
Rot. Bonds10

About 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol

2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol (PubChem CID 155242968) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol
PubChem CID155242968
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol
SMILESC=CCOCC(CC)(CO)C(C)OCC=C
InChIInChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14)12(4)16-9-6-2/h5-6,12,14H,1-2,7-11H2,3-4H3
InChIKeyCTYXOZOPRGAMSR-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'}

Analyze 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol?
The IUPAC name of 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol (CID 155242968) is 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol?
The canonical SMILES for 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol is C=CCOCC(CC)(CO)C(C)OCC=C.
What is the InChIKey of 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol?
The InChIKey is CTYXOZOPRGAMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14)12(4)16-9-6-2/h5-6,12,14H,1-2,7-11H2,3-4H3.
What are the key properties of 2-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol?
2-ethyl-3-prop-2-enoxy-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-ethyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)butan-1-ol is sourced from PubChem (CID 155242968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).