CID 90349760

C12H22BFO3Si — CID 90349760

IUPAC—
SMILES[B][C@@H]1O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)F
InChIInChI=1S/C12H22BFO3Si/c1-11(2,3)18(5,6)17-9-8(7-15)16-10(13)12(9,4)14/h7-10H,1-6H3/t8-,9-,10-,12-/m1/s1
InChIKeyYBYNDLHESHMCAB-DNRKLUKYSA-N
MW272.20 g/mol
LogP2.20
Rot. Bonds3

About CID 90349760

CID 90349760 (PubChem CID 90349760) has the molecular formula C12H22BFO3Si and a molecular weight of 272.20 g/mol.

Molecular Properties

Compound NameCID 90349760
PubChem CID90349760
Molecular FormulaC12H22BFO3Si
Molecular Weight272.20 g/mol
Exact Mass272.14
IUPAC Name—
SMILES[B][C@@H]1O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)F
InChIInChI=1S/C12H22BFO3Si/c1-11(2,3)18(5,6)17-9-8(7-15)16-10(13)12(9,4)14/h7-10H,1-6H3/t8-,9-,10-,12-/m1/s1
InChIKeyYBYNDLHESHMCAB-DNRKLUKYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90349760?
The IUPAC name of CID 90349760 (CID 90349760) is not available.
What is the SMILES notation for CID 90349760?
The canonical SMILES for CID 90349760 is [B][C@@H]1O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)F.
What is the InChIKey of CID 90349760?
The InChIKey is YBYNDLHESHMCAB-DNRKLUKYSA-N. The full InChI is InChI=1S/C12H22BFO3Si/c1-11(2,3)18(5,6)17-9-8(7-15)16-10(13)12(9,4)14/h7-10H,1-6H3/t8-,9-,10-,12-/m1/s1.
What are the key properties of CID 90349760?
CID 90349760 has a molecular weight of 272.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90349760 is sourced from PubChem (CID 90349760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).