CID 174955562

C11H17O2Si — CID 174955562

IUPAC—
SMILESCOc1ccccc1O[Si](C)C(C)C
InChIInChI=1S/C11H17O2Si/c1-9(2)14(4)13-11-8-6-5-7-10(11)12-3/h5-9H,1-4H3
InChIKeyCXPSQORUFRAOTB-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.11
Rot. Bonds4

About CID 174955562

CID 174955562 (PubChem CID 174955562) has the molecular formula C11H17O2Si and a molecular weight of 209.34 g/mol.

Molecular Properties

Compound NameCID 174955562
PubChem CID174955562
Molecular FormulaC11H17O2Si
Molecular Weight209.34 g/mol
Exact Mass209.10
IUPAC Name—
SMILESCOc1ccccc1O[Si](C)C(C)C
InChIInChI=1S/C11H17O2Si/c1-9(2)14(4)13-11-8-6-5-7-10(11)12-3/h5-9H,1-4H3
InChIKeyCXPSQORUFRAOTB-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 13011
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Frequently Asked Questions

What is the IUPAC name of CID 174955562?
The IUPAC name of CID 174955562 (CID 174955562) is not available.
What is the SMILES notation for CID 174955562?
The canonical SMILES for CID 174955562 is COc1ccccc1O[Si](C)C(C)C.
What is the InChIKey of CID 174955562?
The InChIKey is CXPSQORUFRAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2Si/c1-9(2)14(4)13-11-8-6-5-7-10(11)12-3/h5-9H,1-4H3.
What are the key properties of CID 174955562?
CID 174955562 has a molecular weight of 209.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174955562 is sourced from PubChem (CID 174955562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).