methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate

C11H18O4 — CID 174883570

IUPACmethyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C.C=CC(=O)OC
InChIInChI=1S/C7H12O2.C4H6O2/c1-5(2)7(8)9-6(3)4;1-3-4(5)6-2/h6H,1H2,2-4H3;3H,1H2,2H3
InChIKeyBCUJBAIONCFOPW-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.86
Rot. Bonds3

About methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate

methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate (PubChem CID 174883570) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
PubChem CID174883570
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C.C=CC(=O)OC
InChIInChI=1S/C7H12O2.C4H6O2/c1-5(2)7(8)9-6(3)4;1-3-4(5)6-2/h6H,1H2,2-4H3;3H,1H2,2H3
InChIKeyBCUJBAIONCFOPW-UHFFFAOYSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.86
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

methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174811484
propan-2-yl 2-methylprop-2-enoate
CID 146421311
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
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
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
chloroform;methyl prop-2-enoate
CID 123529405
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate (CID 174883570) is methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C.C=CC(=O)OC.
What is the InChIKey of methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
The InChIKey is BCUJBAIONCFOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H6O2/c1-5(2)7(8)9-6(3)4;1-3-4(5)6-2/h6H,1H2,2-4H3;3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate?
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 174883570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).