2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate

C11H20O4 — CID 167180507

IUPAC2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(CO)CC(C)C
InChIInChI=1S/C11H20O4/c1-4-11(13)15-6-5-14-10(8-12)7-9(2)3/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyXUVSSCWFBXUPHR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.14
Rot. Bonds8

About 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate

2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate (PubChem CID 167180507) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate
PubChem CID167180507
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(CO)CC(C)C
InChIInChI=1S/C11H20O4/c1-4-11(13)15-6-5-14-10(8-12)7-9(2)3/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyXUVSSCWFBXUPHR-UHFFFAOYSA-N
XLogP1.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
(6-hydroxy-3,4,5-trimethylhexyl) prop-2-enoate
CID 54169332
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-(2-amino-1-iodoethoxy)ethoxy]ethyl prop-2-enoate
CID 146532841
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
2-[1-[4-hydroxy-3,3-bis(hydroxymethyl)butan-2-yl]oxyethoxy]ethyl prop-2-enoate
CID 175045459
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
icosakis(2-prop-2-enoyloxyethyl) 1-methylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate
CID 58241540
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate?
The IUPAC name of 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate (CID 167180507) is 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate.
What is the SMILES notation for 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate?
The canonical SMILES for 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate is C=CC(=O)OCCOC(CO)CC(C)C.
What is the InChIKey of 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate?
The InChIKey is XUVSSCWFBXUPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-11(13)15-6-5-14-10(8-12)7-9(2)3/h4,9-10,12H,1,5-8H2,2-3H3.
What are the key properties of 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate?
2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-methylpentan-2-yl)oxyethyl prop-2-enoate is sourced from PubChem (CID 167180507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).