cyclopentyl acetate;methyl 2-methylprop-2-enoate

C12H20O4 — CID 174985649

IUPACcyclopentyl acetate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.CC(=O)OC1CCCC1
InChIInChI=1S/C7H12O2.C5H8O2/c1-6(8)9-7-4-2-3-5-7;1-4(2)5(6)7-3/h7H,2-5H2,1H3;1H2,2-3H3
InChIKeyKLZQLGBYLRZUQZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.23
Rot. Bonds2

About cyclopentyl acetate;methyl 2-methylprop-2-enoate

cyclopentyl acetate;methyl 2-methylprop-2-enoate (PubChem CID 174985649) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is cyclopentyl acetate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclopentyl acetate;methyl 2-methylprop-2-enoate
PubChem CID174985649
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namecyclopentyl acetate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.CC(=O)OC1CCCC1
InChIInChI=1S/C7H12O2.C5H8O2/c1-6(8)9-7-4-2-3-5-7;1-4(2)5(6)7-3/h7H,2-5H2,1H3;1H2,2-3H3
InChIKeyKLZQLGBYLRZUQZ-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.23
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

(6-acetyloxycyclodecyl) acetate
CID 539578
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cycloheptadecyl acetate
CID 57215828
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
lithium;carbanide;cyclohexyl acetate
CID 158677387
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219

Frequently Asked Questions

What is the IUPAC name of cyclopentyl acetate;methyl 2-methylprop-2-enoate?
The IUPAC name of cyclopentyl acetate;methyl 2-methylprop-2-enoate (CID 174985649) is cyclopentyl acetate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclopentyl acetate;methyl 2-methylprop-2-enoate?
The canonical SMILES for cyclopentyl acetate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.CC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl acetate;methyl 2-methylprop-2-enoate?
The InChIKey is KLZQLGBYLRZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C5H8O2/c1-6(8)9-7-4-2-3-5-7;1-4(2)5(6)7-3/h7H,2-5H2,1H3;1H2,2-3H3.
What are the key properties of cyclopentyl acetate;methyl 2-methylprop-2-enoate?
cyclopentyl acetate;methyl 2-methylprop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl acetate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 174985649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).