CID 88572259

C14H28BO3PSSi — CID 88572259

IUPAC—
SMILES[B][C@@H]1O[C@]2(COP(C)SC2)[C@H](C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28BO3PSSi/c1-10-11(18-21(6,7)13(2,3)4)12(15)17-14(10)8-16-19(5)20-9-14/h10-12H,8-9H2,1-7H3/t10-,11?,12-,14+,19?/m1/s1
InChIKeyOAUBJFBJKDDHMN-YGBCQJHOSA-N
MW346.31 g/mol
LogP3.98
Rot. Bonds2

About CID 88572259

CID 88572259 (PubChem CID 88572259) has the molecular formula C14H28BO3PSSi and a molecular weight of 346.31 g/mol.

Molecular Properties

Compound NameCID 88572259
PubChem CID88572259
Molecular FormulaC14H28BO3PSSi
Molecular Weight346.31 g/mol
Exact Mass346.14
IUPAC Name—
SMILES[B][C@@H]1O[C@]2(COP(C)SC2)[C@H](C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28BO3PSSi/c1-10-11(18-21(6,7)13(2,3)4)12(15)17-14(10)8-16-19(5)20-9-14/h10-12H,8-9H2,1-7H3/t10-,11?,12-,14+,19?/m1/s1
InChIKeyOAUBJFBJKDDHMN-YGBCQJHOSA-N
XLogP3.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88572259?
The IUPAC name of CID 88572259 (CID 88572259) is not available.
What is the SMILES notation for CID 88572259?
The canonical SMILES for CID 88572259 is [B][C@@H]1O[C@]2(COP(C)SC2)[C@H](C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 88572259?
The InChIKey is OAUBJFBJKDDHMN-YGBCQJHOSA-N. The full InChI is InChI=1S/C14H28BO3PSSi/c1-10-11(18-21(6,7)13(2,3)4)12(15)17-14(10)8-16-19(5)20-9-14/h10-12H,8-9H2,1-7H3/t10-,11?,12-,14+,19?/m1/s1.
What are the key properties of CID 88572259?
CID 88572259 has a molecular weight of 346.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88572259 is sourced from PubChem (CID 88572259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).