ethane;bis(2-methylprop-2-enoic acid)

C10H18O4 — CID 87619293

IUPACethane;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC
InChIInChI=1S/2C4H6O2.C2H6/c2*1-3(2)4(5)6;1-2/h2*1H2,2H3,(H,5,6);1-2H3
InChIKeySOYLUXZLAXSRGM-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.32
Rot. Bonds2

About ethane;bis(2-methylprop-2-enoic acid)

ethane;bis(2-methylprop-2-enoic acid) (PubChem CID 87619293) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethane;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameethane;bis(2-methylprop-2-enoic acid)
PubChem CID87619293
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethane;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC
InChIInChI=1S/2C4H6O2.C2H6/c2*1-3(2)4(5)6;1-2/h2*1H2,2H3,(H,5,6);1-2H3
InChIKeySOYLUXZLAXSRGM-UHFFFAOYSA-N
XLogP2.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719
methanol;2-methylprop-2-enoic acid;propan-2-one
CID 174711674

Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-methylprop-2-enoic acid)?
The IUPAC name of ethane;bis(2-methylprop-2-enoic acid) (CID 87619293) is ethane;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for ethane;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for ethane;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC.
What is the InChIKey of ethane;bis(2-methylprop-2-enoic acid)?
The InChIKey is SOYLUXZLAXSRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.C2H6/c2*1-3(2)4(5)6;1-2/h2*1H2,2H3,(H,5,6);1-2H3.
What are the key properties of ethane;bis(2-methylprop-2-enoic acid)?
ethane;bis(2-methylprop-2-enoic acid) has a molecular weight of 202.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 87619293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).