CID 22216392

C14H25O2Si — CID 22216392

IUPAC—
SMILESCC(=O)C1CCC(O[Si](C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H25O2Si/c1-10(15)11-7-8-13(16-17(5)6)12(9-11)14(2,3)4/h11H,7-9H2,1-6H3
InChIKeyUKELVKZKCOMAQC-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.94
Rot. Bonds3

About CID 22216392

CID 22216392 (PubChem CID 22216392) has the molecular formula C14H25O2Si and a molecular weight of 253.44 g/mol.

Molecular Properties

Compound NameCID 22216392
PubChem CID22216392
Molecular FormulaC14H25O2Si
Molecular Weight253.44 g/mol
Exact Mass253.16
IUPAC Name—
SMILESCC(=O)C1CCC(O[Si](C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H25O2Si/c1-10(15)11-7-8-13(16-17(5)6)12(9-11)14(2,3)4/h11H,7-9H2,1-6H3
InChIKeyUKELVKZKCOMAQC-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 22216392?
The IUPAC name of CID 22216392 (CID 22216392) is not available.
What is the SMILES notation for CID 22216392?
The canonical SMILES for CID 22216392 is CC(=O)C1CCC(O[Si](C)C)=C(C(C)(C)C)C1.
What is the InChIKey of CID 22216392?
The InChIKey is UKELVKZKCOMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O2Si/c1-10(15)11-7-8-13(16-17(5)6)12(9-11)14(2,3)4/h11H,7-9H2,1-6H3.
What are the key properties of CID 22216392?
CID 22216392 has a molecular weight of 253.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22216392 is sourced from PubChem (CID 22216392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).