CID 136864481

C21H31O3Si3 — CID 136864481

IUPAC—
SMILESCC(C)[Si]1O[Si@](c2ccccc2)(C(C)C)O[Si@](c2ccccc2)(C(C)C)O1
InChIInChI=1S/C21H31O3Si3/c1-17(2)25-22-26(18(3)4,20-13-9-7-10-14-20)24-27(23-25,19(5)6)21-15-11-8-12-16-21/h7-19H,1-6H3/t26-,27+
InChIKeyICJDYVCHRJLHIL-MKPDMIMOSA-N
MW415.73 g/mol
LogP4.47
Rot. Bonds5

About CID 136864481

CID 136864481 (PubChem CID 136864481) has the molecular formula C21H31O3Si3 and a molecular weight of 415.73 g/mol.

Molecular Properties

Compound NameCID 136864481
PubChem CID136864481
Molecular FormulaC21H31O3Si3
Molecular Weight415.73 g/mol
Exact Mass415.16
IUPAC Name—
SMILESCC(C)[Si]1O[Si@](c2ccccc2)(C(C)C)O[Si@](c2ccccc2)(C(C)C)O1
InChIInChI=1S/C21H31O3Si3/c1-17(2)25-22-26(18(3)4,20-13-9-7-10-14-20)24-27(23-25,19(5)6)21-15-11-8-12-16-21/h7-19H,1-6H3/t26-,27+
InChIKeyICJDYVCHRJLHIL-MKPDMIMOSA-N
XLogP4.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 54.47
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 136864481?
The IUPAC name of CID 136864481 (CID 136864481) is not available.
What is the SMILES notation for CID 136864481?
The canonical SMILES for CID 136864481 is CC(C)[Si]1O[Si@](c2ccccc2)(C(C)C)O[Si@](c2ccccc2)(C(C)C)O1.
What is the InChIKey of CID 136864481?
The InChIKey is ICJDYVCHRJLHIL-MKPDMIMOSA-N. The full InChI is InChI=1S/C21H31O3Si3/c1-17(2)25-22-26(18(3)4,20-13-9-7-10-14-20)24-27(23-25,19(5)6)21-15-11-8-12-16-21/h7-19H,1-6H3/t26-,27+.
What are the key properties of CID 136864481?
CID 136864481 has a molecular weight of 415.73 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136864481 is sourced from PubChem (CID 136864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).