CID 171442561

C33H93O10Si13 — CID 171442561

IUPAC—

SMILESC[Si](C)O[Si](CCC[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C

InChIInChI=1S/C33H93O10Si13/c1-44(2)34-54(35-45(3,4)5,36-46(6,7)8)32-28-30-52(24,25)42-56(40-50(18,19)20,41-51(21,22)23)43-53(26,27)31-29-33-55(37-47(9,10)11,38-48(12,13)14)39-49(15,16)17/h28-33H2,1-27H3

InChIKeyVIIJXSHTQRQLRW-UHFFFAOYSA-N

MW1015.21 g/mol

LogP12.75

Rot. Bonds28

About CID 171442561

CID 171442561 (PubChem CID 171442561) has the molecular formula C33H93O10Si13 and a molecular weight of 1015.21 g/mol.

Molecular Properties

Compound Name	CID 171442561
PubChem CID	171442561
Molecular Formula	C33H93O10Si13
Molecular Weight	1015.21 g/mol
Exact Mass	1013.38
IUPAC Name	—
SMILES	C[Si](C)O[Si](CCC[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChI	InChI=1S/C33H93O10Si13/c1-44(2)34-54(35-45(3,4)5,36-46(6,7)8)32-28-30-52(24,25)42-56(40-50(18,19)20,41-51(21,22)23)43-53(26,27)31-29-33-55(37-47(9,10)11,38-48(12,13)14)39-49(15,16)17/h28-33H2,1-27H3
InChIKey	VIIJXSHTQRQLRW-UHFFFAOYSA-N
XLogP	12.75
TPSA	92.30 Å²
H-Bond Donors
H-Bond Acceptors	10
Rotatable Bonds	28
Heavy Atoms	56
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.21
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 171442561?

The IUPAC name of CID 171442561 (CID 171442561) is not available.

What is the SMILES notation for CID 171442561?

The canonical SMILES for CID 171442561 is C[Si](C)O[Si](CCC[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of CID 171442561?

The InChIKey is VIIJXSHTQRQLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H93O10Si13/c1-44(2)34-54(35-45(3,4)5,36-46(6,7)8)32-28-30-52(24,25)42-56(40-50(18,19)20,41-51(21,22)23)43-53(26,27)31-29-33-55(37-47(9,10)11,38-48(12,13)14)39-49(15,16)17/h28-33H2,1-27H3.

What are the key properties of CID 171442561?

CID 171442561 has a molecular weight of 1015.21 g/mol, XLogP of 12.75, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for CID 171442561 is sourced from PubChem (CID 171442561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).