2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate

C12H18O3 — CID 170331800

IUPAC2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
SMILESC=C(C)C.C=C(C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C8H10O3.C4H8/c1-5(2)7(9)11-8(10)6(3)4;1-4(2)3/h1,3H2,2,4H3;1H2,2-3H3
InChIKeyZNOUUBBBHSWHRJ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.79
Rot. Bonds2

About 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate (PubChem CID 170331800) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
PubChem CID170331800
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
SMILESC=C(C)C.C=C(C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C8H10O3.C4H8/c1-5(2)7(9)11-8(10)6(3)4;1-4(2)3/h1,3H2,2,4H3;1H2,2-3H3
InChIKeyZNOUUBBBHSWHRJ-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
2-methylprop-2-enoyloxymethanethioic S-acid
CID 175561499
disulfanylethane;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174917305
2-(2-hydroxyethoxy)ethanol;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174279431
acetyloxycarbonyl 2-methylprop-2-enoate
CID 118497661
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528
oxaldehydoyl 2-methylprop-2-enoate
CID 87845932
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate
CID 174791686

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate (CID 170331800) is 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate is C=C(C)C.C=C(C)C(=O)OC(=O)C(=C)C.
What is the InChIKey of 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate?
The InChIKey is ZNOUUBBBHSWHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C4H8/c1-5(2)7(9)11-8(10)6(3)4;1-4(2)3/h1,3H2,2,4H3;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate?
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate has a molecular weight of 210.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate is sourced from PubChem (CID 170331800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).