cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate

C16H26O4 — CID 175472887

IUPACcyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)C.C=CC(=O)OC1CCCC1
InChIInChI=1S/C8H12O2.C8H14O2/c1-2-8(9)10-7-5-3-4-6-7;1-6(2)5-10-8(9)7(3)4/h2,7H,1,3-6H2;6H,3,5H2,1-2,4H3
InChIKeyMANJSYQRZGDYQL-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.42
Rot. Bonds5

About cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate

cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate (PubChem CID 175472887) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
PubChem CID175472887
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namecyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)C.C=CC(=O)OC1CCCC1
InChIInChI=1S/C8H12O2.C8H14O2/c1-2-8(9)10-7-5-3-4-6-7;1-6(2)5-10-8(9)7(3)4/h2,7H,1,3-6H2;6H,3,5H2,1-2,4H3
InChIKeyMANJSYQRZGDYQL-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
CID 70467562
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
methyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;prop-2-enenitrile
CID 163917231
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
butyl 2-methylprop-2-enoate;2-methylpropane;methyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 174913264
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 91932560
oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate
CID 174491978

Frequently Asked Questions

What is the IUPAC name of cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
The IUPAC name of cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate (CID 175472887) is cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
The canonical SMILES for cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)C.C=CC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
The InChIKey is MANJSYQRZGDYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C8H14O2/c1-2-8(9)10-7-5-3-4-6-7;1-6(2)5-10-8(9)7(3)4/h2,7H,1,3-6H2;6H,3,5H2,1-2,4H3.
What are the key properties of cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate has a molecular weight of 282.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 175472887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).