CID 136798627

C25H36NOSSi2 — CID 136798627

IUPAC—
SMILESC[Si](C)(CCCSCCC[Si])OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C25H36NOSSi2/c1-30(2,21-11-19-28-18-10-20-29)27-25(24-16-9-17-26-24,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-8,12-15,24,26H,9-11,16-21H2,1-2H3/t24-/m1/s1
InChIKeySGOXUTLAHKJTCV-XMMPIXPASA-N
MW454.81 g/mol
LogP6.00
Rot. Bonds12

About CID 136798627

CID 136798627 (PubChem CID 136798627) has the molecular formula C25H36NOSSi2 and a molecular weight of 454.81 g/mol.

Molecular Properties

Compound NameCID 136798627
PubChem CID136798627
Molecular FormulaC25H36NOSSi2
Molecular Weight454.81 g/mol
Exact Mass454.21
IUPAC Name—
SMILESC[Si](C)(CCCSCCC[Si])OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C25H36NOSSi2/c1-30(2,21-11-19-28-18-10-20-29)27-25(24-16-9-17-26-24,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-8,12-15,24,26H,9-11,16-21H2,1-2H3/t24-/m1/s1
InChIKeySGOXUTLAHKJTCV-XMMPIXPASA-N
XLogP6.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.81
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane
CID 141460605
[diphenyl-[(2S)-pyrrolidin-2-yl]methyl] dimethyl borate
CID 71068491
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane
CID 177493486
[dinaphthalen-1-yl(pyrrolidin-2-yl)methoxy]-trimethylsilane
CID 69476600
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
CID 147642184
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
[bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
CID 142685120
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501

Frequently Asked Questions

What is the IUPAC name of CID 136798627?
The IUPAC name of CID 136798627 (CID 136798627) is not available.
What is the SMILES notation for CID 136798627?
The canonical SMILES for CID 136798627 is C[Si](C)(CCCSCCC[Si])OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1.
What is the InChIKey of CID 136798627?
The InChIKey is SGOXUTLAHKJTCV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H36NOSSi2/c1-30(2,21-11-19-28-18-10-20-29)27-25(24-16-9-17-26-24,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-8,12-15,24,26H,9-11,16-21H2,1-2H3/t24-/m1/s1.
What are the key properties of CID 136798627?
CID 136798627 has a molecular weight of 454.81 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136798627 is sourced from PubChem (CID 136798627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).