4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol

C12H24O4 — CID 90476187

IUPAC4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol
SMILESC=CCOC(C)COCCOCCC(C)O
InChIInChI=1S/C12H24O4/c1-4-6-16-12(3)10-15-9-8-14-7-5-11(2)13/h4,11-13H,1,5-10H2,2-3H3
InChIKeyRUBIFTVPWBJMQF-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.38
Rot. Bonds11

About 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol

4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol (PubChem CID 90476187) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol.

Molecular Properties

Compound Name4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol
PubChem CID90476187
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol
SMILESC=CCOC(C)COCCOCCC(C)O
InChIInChI=1S/C12H24O4/c1-4-6-16-12(3)10-15-9-8-14-7-5-11(2)13/h4,11-13H,1,5-10H2,2-3H3
InChIKeyRUBIFTVPWBJMQF-UHFFFAOYSA-N
XLogP1.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol?
The IUPAC name of 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol (CID 90476187) is 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol.
What is the SMILES notation for 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol?
The canonical SMILES for 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol is C=CCOC(C)COCCOCCC(C)O.
What is the InChIKey of 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol?
The InChIKey is RUBIFTVPWBJMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-6-16-12(3)10-15-9-8-14-7-5-11(2)13/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol?
4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol has a molecular weight of 232.32 g/mol, XLogP of 1.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-prop-2-enoxypropoxy)ethoxy]butan-2-ol is sourced from PubChem (CID 90476187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).