ethylcyclobutane;tris(2-methylprop-2-enoic acid)

C18H30O6 — CID 67802354

IUPACethylcyclobutane;tris(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC1CCC1
InChIInChI=1S/C6H12.3C4H6O2/c1-2-6-4-3-5-6;3*1-3(2)4(5)6/h6H,2-5H2,1H3;3*1H2,2H3,(H,5,6)
InChIKeyMEUHEDHPPYJQQQ-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.14
Rot. Bonds4

About ethylcyclobutane;tris(2-methylprop-2-enoic acid)

ethylcyclobutane;tris(2-methylprop-2-enoic acid) (PubChem CID 67802354) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is ethylcyclobutane;tris(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameethylcyclobutane;tris(2-methylprop-2-enoic acid)
PubChem CID67802354
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Nameethylcyclobutane;tris(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC1CCC1
InChIInChI=1S/C6H12.3C4H6O2/c1-2-6-4-3-5-6;3*1-3(2)4(5)6/h6H,2-5H2,1H3;3*1H2,2H3,(H,5,6)
InChIKeyMEUHEDHPPYJQQQ-UHFFFAOYSA-N
XLogP4.14
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylcyclobutane;tris(2-methylprop-2-enoic acid)?
The IUPAC name of ethylcyclobutane;tris(2-methylprop-2-enoic acid) (CID 67802354) is ethylcyclobutane;tris(2-methylprop-2-enoic acid).
What is the SMILES notation for ethylcyclobutane;tris(2-methylprop-2-enoic acid)?
The canonical SMILES for ethylcyclobutane;tris(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC1CCC1.
What is the InChIKey of ethylcyclobutane;tris(2-methylprop-2-enoic acid)?
The InChIKey is MEUHEDHPPYJQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.3C4H6O2/c1-2-6-4-3-5-6;3*1-3(2)4(5)6/h6H,2-5H2,1H3;3*1H2,2H3,(H,5,6).
What are the key properties of ethylcyclobutane;tris(2-methylprop-2-enoic acid)?
ethylcyclobutane;tris(2-methylprop-2-enoic acid) has a molecular weight of 342.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclobutane;tris(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67802354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).