CID 88572294

C14H29BO4Si — CID 88572294

IUPAC—
SMILES[B][C@@H]1O[C@@](CO)(CCO)[C@H](C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BO4Si/c1-10-11(19-20(5,6)13(2,3)4)12(15)18-14(10,9-17)7-8-16/h10-12,16-17H,7-9H2,1-6H3/t10-,11?,12-,14-/m1/s1
InChIKeyJFSCPVZHNYNUOW-ALHXXGQPSA-N
MW300.28 g/mol
LogP1.65
Rot. Bonds5

About CID 88572294

CID 88572294 (PubChem CID 88572294) has the molecular formula C14H29BO4Si and a molecular weight of 300.28 g/mol.

Molecular Properties

Compound NameCID 88572294
PubChem CID88572294
Molecular FormulaC14H29BO4Si
Molecular Weight300.28 g/mol
Exact Mass300.19
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CO)(CCO)[C@H](C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BO4Si/c1-10-11(19-20(5,6)13(2,3)4)12(15)18-14(10,9-17)7-8-16/h10-12,16-17H,7-9H2,1-6H3/t10-,11?,12-,14-/m1/s1
InChIKeyJFSCPVZHNYNUOW-ALHXXGQPSA-N
XLogP1.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 CID 88572294?
The IUPAC name of CID 88572294 (CID 88572294) is not available.
What is the SMILES notation for CID 88572294?
The canonical SMILES for CID 88572294 is [B][C@@H]1O[C@@](CO)(CCO)[C@H](C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 88572294?
The InChIKey is JFSCPVZHNYNUOW-ALHXXGQPSA-N. The full InChI is InChI=1S/C14H29BO4Si/c1-10-11(19-20(5,6)13(2,3)4)12(15)18-14(10,9-17)7-8-16/h10-12,16-17H,7-9H2,1-6H3/t10-,11?,12-,14-/m1/s1.
What are the key properties of CID 88572294?
CID 88572294 has a molecular weight of 300.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88572294 is sourced from PubChem (CID 88572294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).