6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol

C30H44N2O4Si — CID 67267890

IUPAC6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol
SMILESCCC1(CCCCCC(O)c2cnc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C30H44N2O4Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-28(33)27-22-31-29(32(27)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,28,33H,5-7,10,13,16-20,23H2,1-4H3
InChIKeyKVWJDUNRSCXWNI-UHFFFAOYSA-N
MW524.78 g/mol
LogP7.15
Rot. Bonds14

About 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol

6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol (PubChem CID 67267890) has the molecular formula C30H44N2O4Si and a molecular weight of 524.78 g/mol. Its IUPAC name is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol.

Molecular Properties

Compound Name6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol
PubChem CID67267890
Molecular FormulaC30H44N2O4Si
Molecular Weight524.78 g/mol
Exact Mass524.31
IUPAC Name6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol
SMILESCCC1(CCCCCC(O)c2cnc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C30H44N2O4Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-28(33)27-22-31-29(32(27)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,28,33H,5-7,10,13,16-20,23H2,1-4H3
InChIKeyKVWJDUNRSCXWNI-UHFFFAOYSA-N
XLogP7.15
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.78
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol?
The IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol (CID 67267890) is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol.
What is the SMILES notation for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol?
The canonical SMILES for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol is CCC1(CCCCCC(O)c2cnc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1.
What is the InChIKey of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol?
The InChIKey is KVWJDUNRSCXWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-28(33)27-22-31-29(32(27)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,28,33H,5-7,10,13,16-20,23H2,1-4H3.
What are the key properties of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol?
6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol has a molecular weight of 524.78 g/mol, XLogP of 7.15, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-ol is sourced from PubChem (CID 67267890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).