CID 58630458

C20H26O2Si3 — CID 58630458

IUPAC—
SMILESC[Si](C)(C1CCC2C(O[Si])=CC=CC21)C1CCC2C(O[Si])=CC=CC21
InChIInChI=1S/C20H26O2Si3/c1-25(2,19-11-9-13-15(19)5-3-7-17(13)21-23)20-12-10-14-16(20)6-4-8-18(14)22-24/h3-8,13-16,19-20H,9-12H2,1-2H3
InChIKeyPBAZWPFKHRPOBX-UHFFFAOYSA-N
MW382.68 g/mol
LogP4.60
Rot. Bonds4

About CID 58630458

CID 58630458 (PubChem CID 58630458) has the molecular formula C20H26O2Si3 and a molecular weight of 382.68 g/mol.

Molecular Properties

Compound NameCID 58630458
PubChem CID58630458
Molecular FormulaC20H26O2Si3
Molecular Weight382.68 g/mol
Exact Mass382.12
IUPAC Name—
SMILESC[Si](C)(C1CCC2C(O[Si])=CC=CC21)C1CCC2C(O[Si])=CC=CC21
InChIInChI=1S/C20H26O2Si3/c1-25(2,19-11-9-13-15(19)5-3-7-17(13)21-23)20-12-10-14-16(20)6-4-8-18(14)22-24/h3-8,13-16,19-20H,9-12H2,1-2H3
InChIKeyPBAZWPFKHRPOBX-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.68
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 58630458?
The IUPAC name of CID 58630458 (CID 58630458) is not available.
What is the SMILES notation for CID 58630458?
The canonical SMILES for CID 58630458 is C[Si](C)(C1CCC2C(O[Si])=CC=CC21)C1CCC2C(O[Si])=CC=CC21.
What is the InChIKey of CID 58630458?
The InChIKey is PBAZWPFKHRPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si3/c1-25(2,19-11-9-13-15(19)5-3-7-17(13)21-23)20-12-10-14-16(20)6-4-8-18(14)22-24/h3-8,13-16,19-20H,9-12H2,1-2H3.
What are the key properties of CID 58630458?
CID 58630458 has a molecular weight of 382.68 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58630458 is sourced from PubChem (CID 58630458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).