CID 18709868

C15H21O3Si — CID 18709868

IUPAC—
SMILESC=[Si]OC1CCC2=CC(=O)C(C(C)=O)CC2(C)C1C
InChIInChI=1S/C15H21O3Si/c1-9-14(18-19-4)6-5-11-7-13(17)12(10(2)16)8-15(9,11)3/h7,9,12,14H,4-6,8H2,1-3H3
InChIKeyBXCAMFVGCJSYRQ-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.96
Rot. Bonds3

About CID 18709868

CID 18709868 (PubChem CID 18709868) has the molecular formula C15H21O3Si and a molecular weight of 277.42 g/mol.

Molecular Properties

Compound NameCID 18709868
PubChem CID18709868
Molecular FormulaC15H21O3Si
Molecular Weight277.42 g/mol
Exact Mass277.13
IUPAC Name—
SMILESC=[Si]OC1CCC2=CC(=O)C(C(C)=O)CC2(C)C1C
InChIInChI=1S/C15H21O3Si/c1-9-14(18-19-4)6-5-11-7-13(17)12(10(2)16)8-15(9,11)3/h7,9,12,14H,4-6,8H2,1-3H3
InChIKeyBXCAMFVGCJSYRQ-UHFFFAOYSA-N
XLogP1.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 18709868?
The IUPAC name of CID 18709868 (CID 18709868) is not available.
What is the SMILES notation for CID 18709868?
The canonical SMILES for CID 18709868 is C=[Si]OC1CCC2=CC(=O)C(C(C)=O)CC2(C)C1C.
What is the InChIKey of CID 18709868?
The InChIKey is BXCAMFVGCJSYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3Si/c1-9-14(18-19-4)6-5-11-7-13(17)12(10(2)16)8-15(9,11)3/h7,9,12,14H,4-6,8H2,1-3H3.
What are the key properties of CID 18709868?
CID 18709868 has a molecular weight of 277.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18709868 is sourced from PubChem (CID 18709868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).