4-cyclooctyltrioxasilocane

C12H24O3Si — CID 173122565

IUPAC4-cyclooctyltrioxasilocane
SMILESC1CCCC([SiH]2CCCCOOO2)CCC1
InChIInChI=1S/C12H24O3Si/c1-2-4-8-12(9-5-3-1)16-11-7-6-10-13-14-15-16/h12,16H,1-11H2
InChIKeyGEBMSCBSBJVOPG-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.50
Rot. Bonds1

About 4-cyclooctyltrioxasilocane

4-cyclooctyltrioxasilocane (PubChem CID 173122565) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 4-cyclooctyltrioxasilocane.

Molecular Properties

Compound Name4-cyclooctyltrioxasilocane
PubChem CID173122565
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name4-cyclooctyltrioxasilocane
SMILESC1CCCC([SiH]2CCCCOOO2)CCC1
InChIInChI=1S/C12H24O3Si/c1-2-4-8-12(9-5-3-1)16-11-7-6-10-13-14-15-16/h12,16H,1-11H2
InChIKeyGEBMSCBSBJVOPG-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyltrioxasilocane?
The IUPAC name of 4-cyclooctyltrioxasilocane (CID 173122565) is 4-cyclooctyltrioxasilocane.
What is the SMILES notation for 4-cyclooctyltrioxasilocane?
The canonical SMILES for 4-cyclooctyltrioxasilocane is C1CCCC([SiH]2CCCCOOO2)CCC1.
What is the InChIKey of 4-cyclooctyltrioxasilocane?
The InChIKey is GEBMSCBSBJVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-2-4-8-12(9-5-3-1)16-11-7-6-10-13-14-15-16/h12,16H,1-11H2.
What are the key properties of 4-cyclooctyltrioxasilocane?
4-cyclooctyltrioxasilocane has a molecular weight of 244.41 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyltrioxasilocane is sourced from PubChem (CID 173122565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).