CID 174694472

C16H17OSi — CID 174694472

IUPAC—
SMILESCCOc1cc(C)c(-c2ccccc2[Si])c(C)c1
InChIInChI=1S/C16H17OSi/c1-4-17-13-9-11(2)16(12(3)10-13)14-7-5-6-8-15(14)18/h5-10H,4H2,1-3H3
InChIKeyXDKJCVYALJVDCG-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.16
Rot. Bonds3

About CID 174694472

CID 174694472 (PubChem CID 174694472) has the molecular formula C16H17OSi and a molecular weight of 253.40 g/mol.

Molecular Properties

Compound NameCID 174694472
PubChem CID174694472
Molecular FormulaC16H17OSi
Molecular Weight253.40 g/mol
Exact Mass253.10
IUPAC Name—
SMILESCCOc1cc(C)c(-c2ccccc2[Si])c(C)c1
InChIInChI=1S/C16H17OSi/c1-4-17-13-9-11(2)16(12(3)10-13)14-7-5-6-8-15(14)18/h5-10H,4H2,1-3H3
InChIKeyXDKJCVYALJVDCG-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174694472?
The IUPAC name of CID 174694472 (CID 174694472) is not available.
What is the SMILES notation for CID 174694472?
The canonical SMILES for CID 174694472 is CCOc1cc(C)c(-c2ccccc2[Si])c(C)c1.
What is the InChIKey of CID 174694472?
The InChIKey is XDKJCVYALJVDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17OSi/c1-4-17-13-9-11(2)16(12(3)10-13)14-7-5-6-8-15(14)18/h5-10H,4H2,1-3H3.
What are the key properties of CID 174694472?
CID 174694472 has a molecular weight of 253.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174694472 is sourced from PubChem (CID 174694472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).