CID 18709875

C16H23O2Si — CID 18709875

IUPAC—
SMILESC=[Si]OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C
InChIInChI=1S/C16H23O2Si/c1-10(2)13-9-16(4)11(3)15(18-19-5)7-6-12(16)8-14(13)17/h8,11,13,15H,1,5-7,9H2,2-4H3
InChIKeyKOQTXMJVUPXHKY-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.95
Rot. Bonds3

About CID 18709875

CID 18709875 (PubChem CID 18709875) has the molecular formula C16H23O2Si and a molecular weight of 275.44 g/mol.

Molecular Properties

Compound NameCID 18709875
PubChem CID18709875
Molecular FormulaC16H23O2Si
Molecular Weight275.44 g/mol
Exact Mass275.15
IUPAC Name—
SMILESC=[Si]OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C
InChIInChI=1S/C16H23O2Si/c1-10(2)13-9-16(4)11(3)15(18-19-5)7-6-12(16)8-14(13)17/h8,11,13,15H,1,5-7,9H2,2-4H3
InChIKeyKOQTXMJVUPXHKY-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18709875?
The IUPAC name of CID 18709875 (CID 18709875) is not available.
What is the SMILES notation for CID 18709875?
The canonical SMILES for CID 18709875 is C=[Si]OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C.
What is the InChIKey of CID 18709875?
The InChIKey is KOQTXMJVUPXHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O2Si/c1-10(2)13-9-16(4)11(3)15(18-19-5)7-6-12(16)8-14(13)17/h8,11,13,15H,1,5-7,9H2,2-4H3.
What are the key properties of CID 18709875?
CID 18709875 has a molecular weight of 275.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18709875 is sourced from PubChem (CID 18709875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).