7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol

C31H46N2O4Si — CID 67382322

IUPAC7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol
SMILESCCC1(CCCCCC(CO)c2ncc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C31H46N2O4Si/c1-5-31(36-17-18-37-31)16-10-6-7-13-28(23-34)30-32-22-29(33(30)24-35-19-20-38(2,3)4)27-15-14-25-11-8-9-12-26(25)21-27/h8-9,11-12,14-15,21-22,28,34H,5-7,10,13,16-20,23-24H2,1-4H3
InChIKeyCAHZRZXJBPCPTI-UHFFFAOYSA-N
MW538.81 g/mol
LogP7.20
Rot. Bonds15

About 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol

7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol (PubChem CID 67382322) has the molecular formula C31H46N2O4Si and a molecular weight of 538.81 g/mol. Its IUPAC name is 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol.

Molecular Properties

Compound Name7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol
PubChem CID67382322
Molecular FormulaC31H46N2O4Si
Molecular Weight538.81 g/mol
Exact Mass538.32
IUPAC Name7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol
SMILESCCC1(CCCCCC(CO)c2ncc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C31H46N2O4Si/c1-5-31(36-17-18-37-31)16-10-6-7-13-28(23-34)30-32-22-29(33(30)24-35-19-20-38(2,3)4)27-15-14-25-11-8-9-12-26(25)21-27/h8-9,11-12,14-15,21-22,28,34H,5-7,10,13,16-20,23-24H2,1-4H3
InChIKeyCAHZRZXJBPCPTI-UHFFFAOYSA-N
XLogP7.20
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.81
LogP ≤ 57.20
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 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol?
The IUPAC name of 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol (CID 67382322) is 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol.
What is the SMILES notation for 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol?
The canonical SMILES for 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol is CCC1(CCCCCC(CO)c2ncc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1.
What is the InChIKey of 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol?
The InChIKey is CAHZRZXJBPCPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O4Si/c1-5-31(36-17-18-37-31)16-10-6-7-13-28(23-34)30-32-22-29(33(30)24-35-19-20-38(2,3)4)27-15-14-25-11-8-9-12-26(25)21-27/h8-9,11-12,14-15,21-22,28,34H,5-7,10,13,16-20,23-24H2,1-4H3.
What are the key properties of 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol?
7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol has a molecular weight of 538.81 g/mol, XLogP of 7.20, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-1,3-dioxolan-2-yl)-2-[5-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]heptan-1-ol is sourced from PubChem (CID 67382322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).