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

C14H22O4 — CID 67655810

IUPACcyclohexene;bis(2-methylprop-2-enoic acid)
SMILESC1=CCCCC1.C=C(C)C(=O)O.C=C(C)C(=O)O
InChIInChI=1S/C6H10.2C4H6O2/c1-2-4-6-5-3-1;2*1-3(2)4(5)6/h1-2H,3-6H2;2*1H2,2H3,(H,5,6)
InChIKeyNCAZIUITRWZDOV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.41
Rot. Bonds2

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

cyclohexene;bis(2-methylprop-2-enoic acid) (PubChem CID 67655810) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is cyclohexene;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Namecyclohexene;bis(2-methylprop-2-enoic acid)
PubChem CID67655810
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namecyclohexene;bis(2-methylprop-2-enoic acid)
SMILESC1=CCCCC1.C=C(C)C(=O)O.C=C(C)C(=O)O
InChIInChI=1S/C6H10.2C4H6O2/c1-2-4-6-5-3-1;2*1-3(2)4(5)6/h1-2H,3-6H2;2*1H2,2H3,(H,5,6)
InChIKeyNCAZIUITRWZDOV-UHFFFAOYSA-N
XLogP3.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexene;bis(2-methylprop-2-enoic acid)?
The IUPAC name of cyclohexene;bis(2-methylprop-2-enoic acid) (CID 67655810) is cyclohexene;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for cyclohexene;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for cyclohexene;bis(2-methylprop-2-enoic acid) is C1=CCCCC1.C=C(C)C(=O)O.C=C(C)C(=O)O.
What is the InChIKey of cyclohexene;bis(2-methylprop-2-enoic acid)?
The InChIKey is NCAZIUITRWZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.2C4H6O2/c1-2-4-6-5-3-1;2*1-3(2)4(5)6/h1-2H,3-6H2;2*1H2,2H3,(H,5,6).
What are the key properties of cyclohexene;bis(2-methylprop-2-enoic acid)?
cyclohexene;bis(2-methylprop-2-enoic acid) has a molecular weight of 254.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67655810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).