holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid

C20H25HoO3- — CID 156732157

IUPACholmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid
SMILESCCCc1c[c-]c2c(c1C(=O)O)OC(C)(CCC=C(C)C)C=C2.[Ho]
InChIInChI=1S/C20H25O3.Ho/c1-5-7-15-9-10-16-11-13-20(4,12-6-8-14(2)3)23-18(16)17(15)19(21)22;/h8-9,11,13H,5-7,12H2,1-4H3,(H,21,22);/q-1;
InChIKeyJBRUCJYCFLUZGY-UHFFFAOYSA-N
MW478.35 g/mol
LogP5.05
Rot. Bonds6

About holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid

holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid (PubChem CID 156732157) has the molecular formula C20H25HoO3- and a molecular weight of 478.35 g/mol. Its IUPAC name is holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid.

Molecular Properties

Compound Nameholmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid
PubChem CID156732157
Molecular FormulaC20H25HoO3-
Molecular Weight478.35 g/mol
Exact Mass478.11
IUPAC Nameholmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid
SMILESCCCc1c[c-]c2c(c1C(=O)O)OC(C)(CCC=C(C)C)C=C2.[Ho]
InChIInChI=1S/C20H25O3.Ho/c1-5-7-15-9-10-16-11-13-20(4,12-6-8-14(2)3)23-18(16)17(15)19(21)22;/h8-9,11,13H,5-7,12H2,1-4H3,(H,21,22);/q-1;
InChIKeyJBRUCJYCFLUZGY-UHFFFAOYSA-N
XLogP5.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid?
The IUPAC name of holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid (CID 156732157) is holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid.
What is the SMILES notation for holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid?
The canonical SMILES for holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid is CCCc1c[c-]c2c(c1C(=O)O)OC(C)(CCC=C(C)C)C=C2.[Ho].
What is the InChIKey of holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid?
The InChIKey is JBRUCJYCFLUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O3.Ho/c1-5-7-15-9-10-16-11-13-20(4,12-6-8-14(2)3)23-18(16)17(15)19(21)22;/h8-9,11,13H,5-7,12H2,1-4H3,(H,21,22);/q-1;.
What are the key properties of holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid?
holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid has a molecular weight of 478.35 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for holmium;2-methyl-2-(4-methylpent-3-enyl)-7-propyl-5H-chromen-5-ide-8-carboxylic acid is sourced from PubChem (CID 156732157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).