dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate

C37H32O2Si — CID 134958177

IUPACdinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
SMILESC[C@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32O2Si/c1-27(40(2,30-19-5-3-6-20-30)31-21-7-4-8-22-31)37(38)39-36(34-25-13-17-28-15-9-11-23-32(28)34)35-26-14-18-29-16-10-12-24-33(29)35/h3-27,36H,1-2H3/t27-/m1/s1
InChIKeyKNCDKHWWNZKQAK-HHHXNRCGSA-N
MW536.75 g/mol
LogP7.91
Rot. Bonds7

About dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate

dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate (PubChem CID 134958177) has the molecular formula C37H32O2Si and a molecular weight of 536.75 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
PubChem CID134958177
Molecular FormulaC37H32O2Si
Molecular Weight536.75 g/mol
Exact Mass536.22
IUPAC Namedinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
SMILESC[C@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32O2Si/c1-27(40(2,30-19-5-3-6-20-30)31-21-7-4-8-22-31)37(38)39-36(34-25-13-17-28-15-9-11-23-32(28)34)35-26-14-18-29-16-10-12-24-33(29)35/h3-27,36H,1-2H3/t27-/m1/s1
InChIKeyKNCDKHWWNZKQAK-HHHXNRCGSA-N
XLogP7.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.75
LogP ≤ 57.91
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

dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
CID 132510045
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
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CID 166440080
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
CID 121278698
dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
CID 66739257
dinaphthalen-1-ylmethyl (2R)-2-(2-iodophenoxy)propanoate
CID 166440084
dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
CID 166440086
1-naphthalen-1-ylethyl carbamate
CID 14959373
3-naphthalen-1-ylbutanoic acid
CID 43211329
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate?
The IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate (CID 134958177) is dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate is C[C@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate?
The InChIKey is KNCDKHWWNZKQAK-HHHXNRCGSA-N. The full InChI is InChI=1S/C37H32O2Si/c1-27(40(2,30-19-5-3-6-20-30)31-21-7-4-8-22-31)37(38)39-36(34-25-13-17-28-15-9-11-23-32(28)34)35-26-14-18-29-16-10-12-24-33(29)35/h3-27,36H,1-2H3/t27-/m1/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate?
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate has a molecular weight of 536.75 g/mol, XLogP of 7.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate is sourced from PubChem (CID 134958177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).