CID 59925272

C18H34BNO5Si2 — CID 59925272

IUPAC—
SMILES[B][C@@H]1O[C@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC2[C@@]1(O)C#N
InChIInChI=1S/C18H34BNO5Si2/c1-11(2)26(12(3)4)22-9-15-16(18(21,10-20)17(19)23-15)24-27(25-26,13(5)6)14(7)8/h11-17,21H,9H2,1-8H3/t15-,16?,17+,18-/m0/s1
InChIKeyFFTHIAVCPCKLCB-WOPUZOFWSA-N
MW411.46 g/mol
LogP3.09
Rot. Bonds4

About CID 59925272

CID 59925272 (PubChem CID 59925272) has the molecular formula C18H34BNO5Si2 and a molecular weight of 411.46 g/mol.

Molecular Properties

Compound NameCID 59925272
PubChem CID59925272
Molecular FormulaC18H34BNO5Si2
Molecular Weight411.46 g/mol
Exact Mass411.21
IUPAC Name—
SMILES[B][C@@H]1O[C@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC2[C@@]1(O)C#N
InChIInChI=1S/C18H34BNO5Si2/c1-11(2)26(12(3)4)22-9-15-16(18(21,10-20)17(19)23-15)24-27(25-26,13(5)6)14(7)8/h11-17,21H,9H2,1-8H3/t15-,16?,17+,18-/m0/s1
InChIKeyFFTHIAVCPCKLCB-WOPUZOFWSA-N
XLogP3.09
TPSA80.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59925272?
The IUPAC name of CID 59925272 (CID 59925272) is not available.
What is the SMILES notation for CID 59925272?
The canonical SMILES for CID 59925272 is [B][C@@H]1O[C@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC2[C@@]1(O)C#N.
What is the InChIKey of CID 59925272?
The InChIKey is FFTHIAVCPCKLCB-WOPUZOFWSA-N. The full InChI is InChI=1S/C18H34BNO5Si2/c1-11(2)26(12(3)4)22-9-15-16(18(21,10-20)17(19)23-15)24-27(25-26,13(5)6)14(7)8/h11-17,21H,9H2,1-8H3/t15-,16?,17+,18-/m0/s1.
What are the key properties of CID 59925272?
CID 59925272 has a molecular weight of 411.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59925272 is sourced from PubChem (CID 59925272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).