[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate

C14H22O5 — CID 122518361

IUPAC[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(O)CCOC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-10(2)12(15)18-8-6-14(5,17)7-9-19-13(16)11(3)4/h17H,1,3,6-9H2,2,4-5H3
InChIKeyUJDSJJJDMZWDHT-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.76
Rot. Bonds8

About [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate

[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate (PubChem CID 122518361) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
PubChem CID122518361
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(O)CCOC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-10(2)12(15)18-8-6-14(5,17)7-9-19-13(16)11(3)4/h17H,1,3,6-9H2,2,4-5H3
InChIKeyUJDSJJJDMZWDHT-UHFFFAOYSA-N
XLogP1.76
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.76
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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Related Compounds

3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
23,23-dimethyltetracosyl 2-methylprop-2-enoate
CID 178182049
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 2-chloro-2-methylpropanoate
CID 20815885
2,2-bis[2-(2-methylprop-2-enoyloxy)ethyl]butanedioic acid
CID 87354014

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate (CID 122518361) is [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)(O)CCOC(=O)C(=C)C.
What is the InChIKey of [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The InChIKey is UJDSJJJDMZWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-10(2)12(15)18-8-6-14(5,17)7-9-19-13(16)11(3)4/h17H,1,3,6-9H2,2,4-5H3.
What are the key properties of [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate has a molecular weight of 270.32 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 122518361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).