CID 87721465

C11H13O2Si — CID 87721465

IUPAC—
SMILESCc1cc(C(=O)O)c(C)c(C)c1C[Si]
InChIInChI=1S/C11H13O2Si/c1-6-4-9(11(12)13)7(2)8(3)10(6)5-14/h4H,5H2,1-3H3,(H,12,13)
InChIKeySJYBDJJPNMUQDM-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.98
Rot. Bonds2

About CID 87721465

CID 87721465 (PubChem CID 87721465) has the molecular formula C11H13O2Si and a molecular weight of 205.31 g/mol.

Molecular Properties

Compound NameCID 87721465
PubChem CID87721465
Molecular FormulaC11H13O2Si
Molecular Weight205.31 g/mol
Exact Mass205.07
IUPAC Name—
SMILESCc1cc(C(=O)O)c(C)c(C)c1C[Si]
InChIInChI=1S/C11H13O2Si/c1-6-4-9(11(12)13)7(2)8(3)10(6)5-14/h4H,5H2,1-3H3,(H,12,13)
InChIKeySJYBDJJPNMUQDM-UHFFFAOYSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 87721465?
The IUPAC name of CID 87721465 (CID 87721465) is not available.
What is the SMILES notation for CID 87721465?
The canonical SMILES for CID 87721465 is Cc1cc(C(=O)O)c(C)c(C)c1C[Si].
What is the InChIKey of CID 87721465?
The InChIKey is SJYBDJJPNMUQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2Si/c1-6-4-9(11(12)13)7(2)8(3)10(6)5-14/h4H,5H2,1-3H3,(H,12,13).
What are the key properties of CID 87721465?
CID 87721465 has a molecular weight of 205.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87721465 is sourced from PubChem (CID 87721465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).