[4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate

C14H24O5 — CID 88566368

IUPAC[4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate
SMILESC=C(C)C(=O)OC(CCOC(=O)C(C)(C)O)C(C)C
InChIInChI=1S/C14H24O5/c1-9(2)11(19-12(15)10(3)4)7-8-18-13(16)14(5,6)17/h9,11,17H,3,7-8H2,1-2,4-6H3
InChIKeyRKQJYTNIIRUTAZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.83
Rot. Bonds7

About [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate

[4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate (PubChem CID 88566368) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name[4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate
PubChem CID88566368
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate
SMILESC=C(C)C(=O)OC(CCOC(=O)C(C)(C)O)C(C)C
InChIInChI=1S/C14H24O5/c1-9(2)11(19-12(15)10(3)4)7-8-18-13(16)14(5,6)17/h9,11,17H,3,7-8H2,1-2,4-6H3
InChIKeyRKQJYTNIIRUTAZ-UHFFFAOYSA-N
XLogP1.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate?
The IUPAC name of [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate (CID 88566368) is [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate?
The canonical SMILES for [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate is C=C(C)C(=O)OC(CCOC(=O)C(C)(C)O)C(C)C.
What is the InChIKey of [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate?
The InChIKey is RKQJYTNIIRUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-9(2)11(19-12(15)10(3)4)7-8-18-13(16)14(5,6)17/h9,11,17H,3,7-8H2,1-2,4-6H3.
What are the key properties of [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate?
[4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate has a molecular weight of 272.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 88566368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).