CID 175491197

C14H19O4Si — CID 175491197

IUPAC—
SMILESCO[Si](OC)OC.COc1cccc2ccccc12
InChIInChI=1S/C11H10O.C3H9O3Si/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-4-7(5-2)6-3/h2-8H,1H3;1-3H3
InChIKeySQUFQZZKYWSNNP-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.76
Rot. Bonds4

About CID 175491197

CID 175491197 (PubChem CID 175491197) has the molecular formula C14H19O4Si and a molecular weight of 279.39 g/mol.

Molecular Properties

Compound NameCID 175491197
PubChem CID175491197
Molecular FormulaC14H19O4Si
Molecular Weight279.39 g/mol
Exact Mass279.11
IUPAC Name—
SMILESCO[Si](OC)OC.COc1cccc2ccccc12
InChIInChI=1S/C11H10O.C3H9O3Si/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-4-7(5-2)6-3/h2-8H,1H3;1-3H3
InChIKeySQUFQZZKYWSNNP-UHFFFAOYSA-N
XLogP2.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 175491197?
The IUPAC name of CID 175491197 (CID 175491197) is not available.
What is the SMILES notation for CID 175491197?
The canonical SMILES for CID 175491197 is CO[Si](OC)OC.COc1cccc2ccccc12.
What is the InChIKey of CID 175491197?
The InChIKey is SQUFQZZKYWSNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.C3H9O3Si/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-4-7(5-2)6-3/h2-8H,1H3;1-3H3.
What are the key properties of CID 175491197?
CID 175491197 has a molecular weight of 279.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175491197 is sourced from PubChem (CID 175491197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).