2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid

C13H22N2O2 — CID 56619230

IUPAC2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid
SMILESCC(=CC1CCCCC1)C/N=N/C(C)C(=O)O
InChIInChI=1S/C13H22N2O2/c1-10(8-12-6-4-3-5-7-12)9-14-15-11(2)13(16)17/h8,11-12H,3-7,9H2,1-2H3,(H,16,17)/b10-8?,15-14+
InChIKeyYXVWQRMZKVICQE-KJPSGJCNSA-N
MW238.33 g/mol
LogP3.44
Rot. Bonds5

About 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid

2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid (PubChem CID 56619230) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid.

Molecular Properties

Compound Name2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid
PubChem CID56619230
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid
SMILESCC(=CC1CCCCC1)C/N=N/C(C)C(=O)O
InChIInChI=1S/C13H22N2O2/c1-10(8-12-6-4-3-5-7-12)9-14-15-11(2)13(16)17/h8,11-12H,3-7,9H2,1-2H3,(H,16,17)/b10-8?,15-14+
InChIKeyYXVWQRMZKVICQE-KJPSGJCNSA-N
XLogP3.44
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
CID 131275429
[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane
CID 91620287
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
2-(cyclodecylmethylidene)-3-methylbutanoic acid
CID 66700134
3-cyclopentyl-2-methylprop-2-en-1-ol
CID 79334568
(E)-3-cyclohexyl-2-methylprop-2-enoate
CID 21225952
(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid
CID 70351288
3-[4-(1-cyclohexylethyl)cyclohexyl]-2-methylprop-2-enoic acid
CID 67084326
chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid
CID 173231321
2-(cyclopentadecylmethylidene)-3-ethylpentanoic acid
CID 173093496
5-cyclopentyl-4-methylpent-4-enal
CID 78076892
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid?
The IUPAC name of 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid (CID 56619230) is 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid.
What is the SMILES notation for 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid?
The canonical SMILES for 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid is CC(=CC1CCCCC1)C/N=N/C(C)C(=O)O.
What is the InChIKey of 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid?
The InChIKey is YXVWQRMZKVICQE-KJPSGJCNSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(8-12-6-4-3-5-7-12)9-14-15-11(2)13(16)17/h8,11-12H,3-7,9H2,1-2H3,(H,16,17)/b10-8?,15-14+.
What are the key properties of 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid?
2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyl-2-methylprop-2-enyl)diazenyl]propanoic acid is sourced from PubChem (CID 56619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).