CID 24829180

C13H28O2Si3 — CID 24829180

IUPAC—
SMILESC=CCOCC1CC([Si](C)C)([Si](C)C)[Si](C)(C)O1
InChIInChI=1S/C13H28O2Si3/c1-8-9-14-11-12-10-13(16(2)3,17(4)5)18(6,7)15-12/h8,12H,1,9-11H2,2-7H3
InChIKeyYKTKYGZIHOFBPT-UHFFFAOYSA-N
MW300.62 g/mol
LogP3.51
Rot. Bonds6

About CID 24829180

CID 24829180 (PubChem CID 24829180) has the molecular formula C13H28O2Si3 and a molecular weight of 300.62 g/mol.

Molecular Properties

Compound NameCID 24829180
PubChem CID24829180
Molecular FormulaC13H28O2Si3
Molecular Weight300.62 g/mol
Exact Mass300.14
IUPAC Name—
SMILESC=CCOCC1CC([Si](C)C)([Si](C)C)[Si](C)(C)O1
InChIInChI=1S/C13H28O2Si3/c1-8-9-14-11-12-10-13(16(2)3,17(4)5)18(6,7)15-12/h8,12H,1,9-11H2,2-7H3
InChIKeyYKTKYGZIHOFBPT-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.62
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 24829180?
The IUPAC name of CID 24829180 (CID 24829180) is not available.
What is the SMILES notation for CID 24829180?
The canonical SMILES for CID 24829180 is C=CCOCC1CC([Si](C)C)([Si](C)C)[Si](C)(C)O1.
What is the InChIKey of CID 24829180?
The InChIKey is YKTKYGZIHOFBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si3/c1-8-9-14-11-12-10-13(16(2)3,17(4)5)18(6,7)15-12/h8,12H,1,9-11H2,2-7H3.
What are the key properties of CID 24829180?
CID 24829180 has a molecular weight of 300.62 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24829180 is sourced from PubChem (CID 24829180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).