bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane

C14H26O7 — CID 88807806

IUPACbis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCC(OC)(OC)OC
InChIInChI=1S/C6H14O3.2C4H6O2/c1-5-6(7-2,8-3)9-4;2*1-3(2)4(5)6/h5H2,1-4H3;2*1H2,2H3,(H,5,6)
InChIKeyRIYVCOGTXODIMJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.28
Rot. Bonds6

About bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane

bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane (PubChem CID 88807806) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane.

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane
PubChem CID88807806
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Namebis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCC(OC)(OC)OC
InChIInChI=1S/C6H14O3.2C4H6O2/c1-5-6(7-2,8-3)9-4;2*1-3(2)4(5)6/h5H2,1-4H3;2*1H2,2H3,(H,5,6)
InChIKeyRIYVCOGTXODIMJ-UHFFFAOYSA-N
XLogP2.28
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;silane;3,3,3-trimethoxypropan-1-ol
CID 162225478
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175215744
CID 173413432
CID 173413432
1,1-dimethoxypropyl hydrogen carbonate
CID 175172904
2-methylprop-2-enoic acid;pentan-2-one
CID 159816457
2,2-bis(hydroxymethyl)propane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 173221405
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane?
The IUPAC name of bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane (CID 88807806) is bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane.
What is the SMILES notation for bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane?
The canonical SMILES for bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane is C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(OC)(OC)OC.
What is the InChIKey of bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane?
The InChIKey is RIYVCOGTXODIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.2C4H6O2/c1-5-6(7-2,8-3)9-4;2*1-3(2)4(5)6/h5H2,1-4H3;2*1H2,2H3,(H,5,6).
What are the key properties of bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane?
bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane has a molecular weight of 306.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane is sourced from PubChem (CID 88807806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).