2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

C19H34O6 — CID 175215744

IUPAC2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.CCC(C)(C)C
InChIInChI=1S/C6H14.C5H8O2.2C4H6O2/c1-5-6(2,3)4;1-4(2)5(6)7-3;2*1-3(2)4(5)6/h5H2,1-4H3;1H2,2-3H3;2*1H2,2H3,(H,5,6)
InChIKeyXPPVWOGVVJKWNA-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.47
Rot. Bonds3

About 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (PubChem CID 175215744) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
PubChem CID175215744
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.CCC(C)(C)C
InChIInChI=1S/C6H14.C5H8O2.2C4H6O2/c1-5-6(2,3)4;1-4(2)5(6)7-3;2*1-3(2)4(5)6/h5H2,1-4H3;1H2,2-3H3;2*1H2,2H3,(H,5,6)
InChIKeyXPPVWOGVVJKWNA-UHFFFAOYSA-N
XLogP4.47
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 18995564
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (CID 175215744) is 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OC.CCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
The InChIKey is XPPVWOGVVJKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H8O2.2C4H6O2/c1-5-6(2,3)4;1-4(2)5(6)7-3;2*1-3(2)4(5)6/h5H2,1-4H3;1H2,2-3H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) has a molecular weight of 358.48 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 175215744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).