CID 177463434

C21H45B2Si3 — CID 177463434

IUPAC—
SMILESCCB(CC)/C(CC)=C(\[Si](C)C)[Si](C)/C(=C(\CC)B(CC)CC)[Si](C)C
InChIInChI=1S/C21H45B2Si3/c1-12-18(22(14-3)15-4)20(24(7)8)26(11)21(25(9)10)19(13-2)23(16-5)17-6/h12-17H2,1-11H3/b20-18+,21-19+
InChIKeyYQJIROFVNZPCFW-FRCMOREXSA-N
MW403.47 g/mol
LogP7.34
Rot. Bonds12

About CID 177463434

CID 177463434 (PubChem CID 177463434) has the molecular formula C21H45B2Si3 and a molecular weight of 403.47 g/mol.

Molecular Properties

Compound NameCID 177463434
PubChem CID177463434
Molecular FormulaC21H45B2Si3
Molecular Weight403.47 g/mol
Exact Mass403.30
IUPAC Name—
SMILESCCB(CC)/C(CC)=C(\[Si](C)C)[Si](C)/C(=C(\CC)B(CC)CC)[Si](C)C
InChIInChI=1S/C21H45B2Si3/c1-12-18(22(14-3)15-4)20(24(7)8)26(11)21(25(9)10)19(13-2)23(16-5)17-6/h12-17H2,1-11H3/b20-18+,21-19+
InChIKeyYQJIROFVNZPCFW-FRCMOREXSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 177463434?
The IUPAC name of CID 177463434 (CID 177463434) is not available.
What is the SMILES notation for CID 177463434?
The canonical SMILES for CID 177463434 is CCB(CC)/C(CC)=C(\[Si](C)C)[Si](C)/C(=C(\CC)B(CC)CC)[Si](C)C.
What is the InChIKey of CID 177463434?
The InChIKey is YQJIROFVNZPCFW-FRCMOREXSA-N. The full InChI is InChI=1S/C21H45B2Si3/c1-12-18(22(14-3)15-4)20(24(7)8)26(11)21(25(9)10)19(13-2)23(16-5)17-6/h12-17H2,1-11H3/b20-18+,21-19+.
What are the key properties of CID 177463434?
CID 177463434 has a molecular weight of 403.47 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177463434 is sourced from PubChem (CID 177463434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).