CID 72697645

C17H21O5Si — CID 72697645

IUPAC—
SMILESCOc1ccc([Si](C)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H21O5Si/c1-19-14-7-6-11(8-13(14)18)23(5)12-9-15(20-2)17(22-4)16(10-12)21-3/h6-10,18H,1-5H3
InChIKeyRADRZXVHXSNKKQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.67
Rot. Bonds6

About CID 72697645

CID 72697645 (PubChem CID 72697645) has the molecular formula C17H21O5Si and a molecular weight of 333.44 g/mol.

Molecular Properties

Compound NameCID 72697645
PubChem CID72697645
Molecular FormulaC17H21O5Si
Molecular Weight333.44 g/mol
Exact Mass333.12
IUPAC Name—
SMILESCOc1ccc([Si](C)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H21O5Si/c1-19-14-7-6-11(8-13(14)18)23(5)12-9-15(20-2)17(22-4)16(10-12)21-3/h6-10,18H,1-5H3
InChIKeyRADRZXVHXSNKKQ-UHFFFAOYSA-N
XLogP1.67
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 72697645?
The IUPAC name of CID 72697645 (CID 72697645) is not available.
What is the SMILES notation for CID 72697645?
The canonical SMILES for CID 72697645 is COc1ccc([Si](C)c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of CID 72697645?
The InChIKey is RADRZXVHXSNKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O5Si/c1-19-14-7-6-11(8-13(14)18)23(5)12-9-15(20-2)17(22-4)16(10-12)21-3/h6-10,18H,1-5H3.
What are the key properties of CID 72697645?
CID 72697645 has a molecular weight of 333.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72697645 is sourced from PubChem (CID 72697645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).