CID 170693377

C19H36BO3Si — CID 170693377

IUPAC—
SMILESC[Si](C)OCC1CC=C(B2OC(C)(C)C(C)(C)O2)C(C(C)(C)C)C1
InChIInChI=1S/C19H36BO3Si/c1-17(2,3)15-12-14(13-21-24(8)9)10-11-16(15)20-22-18(4,5)19(6,7)23-20/h11,14-15H,10,12-13H2,1-9H3
InChIKeyRVZPQGODCOGOKG-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.88
Rot. Bonds4

About CID 170693377

CID 170693377 (PubChem CID 170693377) has the molecular formula C19H36BO3Si and a molecular weight of 351.39 g/mol.

Molecular Properties

Compound NameCID 170693377
PubChem CID170693377
Molecular FormulaC19H36BO3Si
Molecular Weight351.39 g/mol
Exact Mass351.25
IUPAC Name—
SMILESC[Si](C)OCC1CC=C(B2OC(C)(C)C(C)(C)O2)C(C(C)(C)C)C1
InChIInChI=1S/C19H36BO3Si/c1-17(2,3)15-12-14(13-21-24(8)9)10-11-16(15)20-22-18(4,5)19(6,7)23-20/h11,14-15H,10,12-13H2,1-9H3
InChIKeyRVZPQGODCOGOKG-UHFFFAOYSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 170693377?
The IUPAC name of CID 170693377 (CID 170693377) is not available.
What is the SMILES notation for CID 170693377?
The canonical SMILES for CID 170693377 is C[Si](C)OCC1CC=C(B2OC(C)(C)C(C)(C)O2)C(C(C)(C)C)C1.
What is the InChIKey of CID 170693377?
The InChIKey is RVZPQGODCOGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36BO3Si/c1-17(2,3)15-12-14(13-21-24(8)9)10-11-16(15)20-22-18(4,5)19(6,7)23-20/h11,14-15H,10,12-13H2,1-9H3.
What are the key properties of CID 170693377?
CID 170693377 has a molecular weight of 351.39 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170693377 is sourced from PubChem (CID 170693377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).