2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid

C14H24O4 — CID 162195098

IUPAC2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
SMILESC=C(C)C.C=C(C)C(=O)O.C=CC.C=CC(=O)O
InChIInChI=1S/C4H6O2.C4H8.C3H4O2.C3H6/c1-3(2)4(5)6;1-4(2)3;1-2-3(4)5;1-3-2/h1H2,2H3,(H,5,6);1H2,2-3H3;2H,1H2,(H,4,5);3H,1H2,2H3
InChIKeyZQVHUYFVQPTXSB-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.68
Rot. Bonds2

About 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid

2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid (PubChem CID 162195098) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
PubChem CID162195098
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
SMILESC=C(C)C.C=C(C)C(=O)O.C=CC.C=CC(=O)O
InChIInChI=1S/C4H6O2.C4H8.C3H4O2.C3H6/c1-3(2)4(5)6;1-4(2)3;1-2-3(4)5;1-3-2/h1H2,2H3,(H,5,6);1H2,2-3H3;2H,1H2,(H,4,5);3H,1H2,2H3
InChIKeyZQVHUYFVQPTXSB-UHFFFAOYSA-N
XLogP3.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
CID 173358641
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
CID 162080940
2,2-bis(hydroxymethyl)propane-1,3-diol;2-methylprop-2-enoic acid;tris(prop-2-enoic acid)
CID 159680832
cyclohexane-1,4-diol;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 66888079
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid
CID 174765174

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid?
The IUPAC name of 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid (CID 162195098) is 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid.
What is the SMILES notation for 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid?
The canonical SMILES for 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid is C=C(C)C.C=C(C)C(=O)O.C=CC.C=CC(=O)O.
What is the InChIKey of 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid?
The InChIKey is ZQVHUYFVQPTXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C4H8.C3H4O2.C3H6/c1-3(2)4(5)6;1-4(2)3;1-2-3(4)5;1-3-2/h1H2,2H3,(H,5,6);1H2,2-3H3;2H,1H2,(H,4,5);3H,1H2,2H3.
What are the key properties of 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid?
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid is sourced from PubChem (CID 162195098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).