cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)

C14H26O5 — CID 68948425

IUPACcyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
SMILESC1CCC1.C=C(C)C(=O)O.C=C(C)C(=O)O.COC
InChIInChI=1S/2C4H6O2.C4H8.C2H6O/c2*1-3(2)4(5)6;1-2-4-3-1;1-3-2/h2*1H2,2H3,(H,5,6);1-4H2;1-2H3
InChIKeyHNVJQOOOMMPXQN-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.12
Rot. Bonds2

About cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)

cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid) (PubChem CID 68948425) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Namecyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
PubChem CID68948425
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namecyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
SMILESC1CCC1.C=C(C)C(=O)O.C=C(C)C(=O)O.COC
InChIInChI=1S/2C4H6O2.C4H8.C2H6O/c2*1-3(2)4(5)6;1-2-4-3-1;1-3-2/h2*1H2,2H3,(H,5,6);1-4H2;1-2H3
InChIKeyHNVJQOOOMMPXQN-UHFFFAOYSA-N
XLogP3.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 66795649
CID 131883821
CID 131883821
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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
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719

Frequently Asked Questions

What is the IUPAC name of cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)?
The IUPAC name of cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid) (CID 68948425) is cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid) is C1CCC1.C=C(C)C(=O)O.C=C(C)C(=O)O.COC.
What is the InChIKey of cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)?
The InChIKey is HNVJQOOOMMPXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.C4H8.C2H6O/c2*1-3(2)4(5)6;1-2-4-3-1;1-3-2/h2*1H2,2H3,(H,5,6);1-4H2;1-2H3.
What are the key properties of cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)?
cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid) has a molecular weight of 274.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 68948425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).