(2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate

C12H18O5 — CID 67710166

IUPAC(2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OC1CCC1O.C=CC(=O)OC
InChIInChI=1S/C8H12O3.C4H6O2/c1-5(2)8(10)11-7-4-3-6(7)9;1-3-4(5)6-2/h6-7,9H,1,3-4H2,2H3;3H,1H2,2H3
InChIKeyHHTDCSHIYXBVTR-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.97
Rot. Bonds3

About (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate

(2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate (PubChem CID 67710166) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate
PubChem CID67710166
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OC1CCC1O.C=CC(=O)OC
InChIInChI=1S/C8H12O3.C4H6O2/c1-5(2)8(10)11-7-4-3-6(7)9;1-3-4(5)6-2/h6-7,9H,1,3-4H2,2H3;3H,1H2,2H3
InChIKeyHHTDCSHIYXBVTR-UHFFFAOYSA-N
XLogP0.97
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.97
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

methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
CID 173410542
methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174692194
(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174822092
[2-hydroxy-4-(thiiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 22465209
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
cyclohexane-1,3-diol;methyl prop-2-enoate
CID 174824119
benzene;ethene;methyl prop-2-enoate
CID 174897686
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
[3-hydroxy-4-(2-methylprop-2-enoyloxy)cyclohexyl]methyl 2-methylprop-2-enoate;3-methylbut-3-en-2-one
CID 158251874
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174811484

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate?
The IUPAC name of (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate (CID 67710166) is (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate is C=C(C)C(=O)OC1CCC1O.C=CC(=O)OC.
What is the InChIKey of (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate?
The InChIKey is HHTDCSHIYXBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3.C4H6O2/c1-5(2)8(10)11-7-4-3-6(7)9;1-3-4(5)6-2/h6-7,9H,1,3-4H2,2H3;3H,1H2,2H3.
What are the key properties of (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate?
(2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclobutyl) 2-methylprop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 67710166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).