2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol

C31H52N2O2Si4 — CID 137124781

IUPAC2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol
SMILESC[Si](C)(C)c1cc(/C=N/C2CCC(/N=C/c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3O)C2)c(O)c([Si](C)(C)C)c1
InChIInChI=1S/C31H52N2O2Si4/c1-36(2,3)26-15-22(30(34)28(18-26)38(7,8)9)20-32-24-13-14-25(17-24)33-21-23-16-27(37(4,5)6)19-29(31(23)35)39(10,11)12/h15-16,18-21,24-25,34-35H,13-14,17H2,1-12H3/b32-20+,33-21+
InChIKeyNAGVTZVGFDNVDS-YMQWWVFYSA-N
MW597.11 g/mol
LogP5.74
Rot. Bonds8

About 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol

2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol (PubChem CID 137124781) has the molecular formula C31H52N2O2Si4 and a molecular weight of 597.11 g/mol. Its IUPAC name is 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol.

Molecular Properties

Compound Name2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol
PubChem CID137124781
Molecular FormulaC31H52N2O2Si4
Molecular Weight597.11 g/mol
Exact Mass596.31
IUPAC Name2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol
SMILESC[Si](C)(C)c1cc(/C=N/C2CCC(/N=C/c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3O)C2)c(O)c([Si](C)(C)C)c1
InChIInChI=1S/C31H52N2O2Si4/c1-36(2,3)26-15-22(30(34)28(18-26)38(7,8)9)20-32-24-13-14-25(17-24)33-21-23-16-27(37(4,5)6)19-29(31(23)35)39(10,11)12/h15-16,18-21,24-25,34-35H,13-14,17H2,1-12H3/b32-20+,33-21+
InChIKeyNAGVTZVGFDNVDS-YMQWWVFYSA-N
XLogP5.74
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.11
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol?
The IUPAC name of 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol (CID 137124781) is 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol.
What is the SMILES notation for 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol?
The canonical SMILES for 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol is C[Si](C)(C)c1cc(/C=N/C2CCC(/N=C/c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3O)C2)c(O)c([Si](C)(C)C)c1.
What is the InChIKey of 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol?
The InChIKey is NAGVTZVGFDNVDS-YMQWWVFYSA-N. The full InChI is InChI=1S/C31H52N2O2Si4/c1-36(2,3)26-15-22(30(34)28(18-26)38(7,8)9)20-32-24-13-14-25(17-24)33-21-23-16-27(37(4,5)6)19-29(31(23)35)39(10,11)12/h15-16,18-21,24-25,34-35H,13-14,17H2,1-12H3/b32-20+,33-21+.
What are the key properties of 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol?
2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol has a molecular weight of 597.11 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol is sourced from PubChem (CID 137124781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).