CID 175290532

C12H17O2Si — CID 175290532

IUPAC—
SMILESCCOC([Si])(OCC)c1ccccc1C
InChIInChI=1S/C12H17O2Si/c1-4-13-12(15,14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyUFEDLQYUKBBIGH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.35
Rot. Bonds5

About CID 175290532

CID 175290532 (PubChem CID 175290532) has the molecular formula C12H17O2Si and a molecular weight of 221.35 g/mol.

Molecular Properties

Compound NameCID 175290532
PubChem CID175290532
Molecular FormulaC12H17O2Si
Molecular Weight221.35 g/mol
Exact Mass221.10
IUPAC Name—
SMILESCCOC([Si])(OCC)c1ccccc1C
InChIInChI=1S/C12H17O2Si/c1-4-13-12(15,14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyUFEDLQYUKBBIGH-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175290532?
The IUPAC name of CID 175290532 (CID 175290532) is not available.
What is the SMILES notation for CID 175290532?
The canonical SMILES for CID 175290532 is CCOC([Si])(OCC)c1ccccc1C.
What is the InChIKey of CID 175290532?
The InChIKey is UFEDLQYUKBBIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2Si/c1-4-13-12(15,14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3.
What are the key properties of CID 175290532?
CID 175290532 has a molecular weight of 221.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175290532 is sourced from PubChem (CID 175290532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).