propan-2-yl 2-methylprop-2-enoate

C14H24O4 — CID 146421311

IUPACpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C.C=C(C)C(=O)OC(C)C
InChIInChI=1S/2C7H12O2/c2*1-5(2)7(8)9-6(3)4/h2*6H,1H2,2-4H3
InChIKeyJPWJLUJNAVJVNK-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.03
Rot. Bonds4

About propan-2-yl 2-methylprop-2-enoate

propan-2-yl 2-methylprop-2-enoate (PubChem CID 146421311) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 2-methylprop-2-enoate
PubChem CID146421311
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namepropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C.C=C(C)C(=O)OC(C)C
InChIInChI=1S/2C7H12O2/c2*1-5(2)7(8)9-6(3)4/h2*6H,1H2,2-4H3
InChIKeyJPWJLUJNAVJVNK-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.03
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

benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium
CID 173115892

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of propan-2-yl 2-methylprop-2-enoate (CID 146421311) is propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C.C=C(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methylprop-2-enoate?
The InChIKey is JPWJLUJNAVJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O2/c2*1-5(2)7(8)9-6(3)4/h2*6H,1H2,2-4H3.
What are the key properties of propan-2-yl 2-methylprop-2-enoate?
propan-2-yl 2-methylprop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 146421311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).