CID 119077582

C14H25BPSi — CID 119077582

IUPAC—
SMILES[B-][P+](C)(c1ccccc1[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25BPSi/c1-14(2,3)16(4,15)12-10-8-9-11-13(12)17(5,6)7/h8-11H,1-7H3
InChIKeyFIKMKGQVAUGLAZ-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.39
Rot. Bonds2

About CID 119077582

CID 119077582 (PubChem CID 119077582) has the molecular formula C14H25BPSi and a molecular weight of 263.23 g/mol.

Molecular Properties

Compound NameCID 119077582
PubChem CID119077582
Molecular FormulaC14H25BPSi
Molecular Weight263.23 g/mol
Exact Mass263.16
IUPAC Name—
SMILES[B-][P+](C)(c1ccccc1[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25BPSi/c1-14(2,3)16(4,15)12-10-8-9-11-13(12)17(5,6)7/h8-11H,1-7H3
InChIKeyFIKMKGQVAUGLAZ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 119077582?
The IUPAC name of CID 119077582 (CID 119077582) is not available.
What is the SMILES notation for CID 119077582?
The canonical SMILES for CID 119077582 is [B-][P+](C)(c1ccccc1[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of CID 119077582?
The InChIKey is FIKMKGQVAUGLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BPSi/c1-14(2,3)16(4,15)12-10-8-9-11-13(12)17(5,6)7/h8-11H,1-7H3.
What are the key properties of CID 119077582?
CID 119077582 has a molecular weight of 263.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119077582 is sourced from PubChem (CID 119077582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).