[dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

C28H31NOSi — CID 11704560

IUPAC[dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1
InChIInChI=1S/C28H31NOSi/c1-31(2,3)30-28(27-13-8-18-29-27,25-16-14-21-9-4-6-11-23(21)19-25)26-17-15-22-10-5-7-12-24(22)20-26/h4-7,9-12,14-17,19-20,27,29H,8,13,18H2,1-3H3/t27-/m0/s1
InChIKeyRUDGRBALLGREHS-MHZLTWQESA-N
MW425.65 g/mol
LogP6.84
Rot. Bonds5

About [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

[dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (PubChem CID 11704560) has the molecular formula C28H31NOSi and a molecular weight of 425.65 g/mol. Its IUPAC name is [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
PubChem CID11704560
Molecular FormulaC28H31NOSi
Molecular Weight425.65 g/mol
Exact Mass425.22
IUPAC Name[dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1
InChIInChI=1S/C28H31NOSi/c1-31(2,3)30-28(27-13-8-18-29-27,25-16-14-21-9-4-6-11-23(21)19-25)26-17-15-22-10-5-7-12-24(22)20-26/h4-7,9-12,14-17,19-20,27,29H,8,13,18H2,1-3H3/t27-/m0/s1
InChIKeyRUDGRBALLGREHS-MHZLTWQESA-N
XLogP6.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.65
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (CID 11704560) is [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1.
What is the InChIKey of [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The InChIKey is RUDGRBALLGREHS-MHZLTWQESA-N. The full InChI is InChI=1S/C28H31NOSi/c1-31(2,3)30-28(27-13-8-18-29-27,25-16-14-21-9-4-6-11-23(21)19-25)26-17-15-22-10-5-7-12-24(22)20-26/h4-7,9-12,14-17,19-20,27,29H,8,13,18H2,1-3H3/t27-/m0/s1.
What are the key properties of [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
[dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane has a molecular weight of 425.65 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 11704560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).