dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate

C30H34O2Si — CID 132510045

IUPACdinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
SMILESCC[Si](CC)(CC)C(C)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H34O2Si/c1-5-33(6-2,7-3)22(4)30(31)32-29(27-20-12-16-23-14-8-10-18-25(23)27)28-21-13-17-24-15-9-11-19-26(24)28/h8-22,29H,5-7H2,1-4H3
InChIKeyJXIKFYKKIBDEME-UHFFFAOYSA-N
MW454.69 g/mol
LogP8.52
Rot. Bonds8

About dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate

dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate (PubChem CID 132510045) has the molecular formula C30H34O2Si and a molecular weight of 454.69 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
PubChem CID132510045
Molecular FormulaC30H34O2Si
Molecular Weight454.69 g/mol
Exact Mass454.23
IUPAC Namedinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
SMILESCC[Si](CC)(CC)C(C)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H34O2Si/c1-5-33(6-2,7-3)22(4)30(31)32-29(27-20-12-16-23-14-8-10-18-25(23)27)28-21-13-17-24-15-9-11-19-26(24)28/h8-22,29H,5-7H2,1-4H3
InChIKeyJXIKFYKKIBDEME-UHFFFAOYSA-N
XLogP8.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.69
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 166440086
dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
CID 66739257
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
1-naphthalen-1-ylethyl carbamate
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[(1R)-1-naphthalen-1-ylethyl] acetate
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Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate?
The IUPAC name of dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate (CID 132510045) is dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate is CC[Si](CC)(CC)C(C)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate?
The InChIKey is JXIKFYKKIBDEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O2Si/c1-5-33(6-2,7-3)22(4)30(31)32-29(27-20-12-16-23-14-8-10-18-25(23)27)28-21-13-17-24-15-9-11-19-26(24)28/h8-22,29H,5-7H2,1-4H3.
What are the key properties of dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate?
dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate has a molecular weight of 454.69 g/mol, XLogP of 8.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate is sourced from PubChem (CID 132510045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).