methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen

C22H38O12 — CID 160751832

IUPACmethanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen
SMILESC=C(C)C.C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C=O.CO.O=O.O=O
InChIInChI=1S/C5H8O2.2C4H6O2.C4H6O.C4H8.CH4O.2O2/c1-4(2)5(6)7-3;2*1-3(2)4(5)6;1-4(2)3-5;1-4(2)3;3*1-2/h1H2,2-3H3;2*1H2,2H3,(H,5,6);3H,1H2,2H3;1H2,2-3H3;2H,1H3;;
InChIKeyRWXRJMJTWZJXQI-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.12
Rot. Bonds4

About methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen

methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen (PubChem CID 160751832) has the molecular formula C22H38O12 and a molecular weight of 494.53 g/mol. Its IUPAC name is methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen.

Molecular Properties

Compound Namemethanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen
PubChem CID160751832
Molecular FormulaC22H38O12
Molecular Weight494.53 g/mol
Exact Mass494.24
IUPAC Namemethanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen
SMILESC=C(C)C.C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C=O.CO.O=O.O=O
InChIInChI=1S/C5H8O2.2C4H6O2.C4H6O.C4H8.CH4O.2O2/c1-4(2)5(6)7-3;2*1-3(2)4(5)6;1-4(2)3-5;1-4(2)3;3*1-2/h1H2,2-3H3;2*1H2,2H3,(H,5,6);3H,1H2,2H3;1H2,2-3H3;2H,1H3;;
InChIKeyRWXRJMJTWZJXQI-UHFFFAOYSA-N
XLogP4.12
TPSA206.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen with MolForge

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Related Compounds

methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
2-methylbut-2-enoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159558073
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
CID 173410542
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
benzene;methane;bis(methyl 2-methylprop-2-enoate)
CID 174531928
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen?
The IUPAC name of methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen (CID 160751832) is methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen.
What is the SMILES notation for methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen?
The canonical SMILES for methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen is C=C(C)C.C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C=O.CO.O=O.O=O.
What is the InChIKey of methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen?
The InChIKey is RWXRJMJTWZJXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.2C4H6O2.C4H6O.C4H8.CH4O.2O2/c1-4(2)5(6)7-3;2*1-3(2)4(5)6;1-4(2)3-5;1-4(2)3;3*1-2/h1H2,2-3H3;2*1H2,2H3,(H,5,6);3H,1H2,2H3;1H2,2-3H3;2H,1H3;;.
What are the key properties of methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen?
methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen has a molecular weight of 494.53 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen is sourced from PubChem (CID 160751832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).