2,2,3,3,4,4,6,6-octabutyloxatrisilinane

C34H74OSi3 — CID 70580123

IUPAC2,2,3,3,4,4,6,6-octabutyloxatrisilinane
SMILESCCCCC1(CCCC)C[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)O1
InChIInChI=1S/C34H74OSi3/c1-9-17-25-34(26-18-10-2)33-36(27-19-11-3,28-20-12-4)38(31-23-15-7,32-24-16-8)37(35-34,29-21-13-5)30-22-14-6/h9-33H2,1-8H3
InChIKeyRBEKWWPWBVNPST-UHFFFAOYSA-N
MW583.22 g/mol
LogP12.94
Rot. Bonds24

About 2,2,3,3,4,4,6,6-octabutyloxatrisilinane

2,2,3,3,4,4,6,6-octabutyloxatrisilinane (PubChem CID 70580123) has the molecular formula C34H74OSi3 and a molecular weight of 583.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,6,6-octabutyloxatrisilinane.

Molecular Properties

Compound Name2,2,3,3,4,4,6,6-octabutyloxatrisilinane
PubChem CID70580123
Molecular FormulaC34H74OSi3
Molecular Weight583.22 g/mol
Exact Mass582.50
IUPAC Name2,2,3,3,4,4,6,6-octabutyloxatrisilinane
SMILESCCCCC1(CCCC)C[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)O1
InChIInChI=1S/C34H74OSi3/c1-9-17-25-34(26-18-10-2)33-36(27-19-11-3,28-20-12-4)38(31-23-15-7,32-24-16-8)37(35-34,29-21-13-5)30-22-14-6/h9-33H2,1-8H3
InChIKeyRBEKWWPWBVNPST-UHFFFAOYSA-N
XLogP12.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.22
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4,6,6-octabutyloxatrisilinane?
The IUPAC name of 2,2,3,3,4,4,6,6-octabutyloxatrisilinane (CID 70580123) is 2,2,3,3,4,4,6,6-octabutyloxatrisilinane.
What is the SMILES notation for 2,2,3,3,4,4,6,6-octabutyloxatrisilinane?
The canonical SMILES for 2,2,3,3,4,4,6,6-octabutyloxatrisilinane is CCCCC1(CCCC)C[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)O1.
What is the InChIKey of 2,2,3,3,4,4,6,6-octabutyloxatrisilinane?
The InChIKey is RBEKWWPWBVNPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H74OSi3/c1-9-17-25-34(26-18-10-2)33-36(27-19-11-3,28-20-12-4)38(31-23-15-7,32-24-16-8)37(35-34,29-21-13-5)30-22-14-6/h9-33H2,1-8H3.
What are the key properties of 2,2,3,3,4,4,6,6-octabutyloxatrisilinane?
2,2,3,3,4,4,6,6-octabutyloxatrisilinane has a molecular weight of 583.22 g/mol, XLogP of 12.94, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,6,6-octabutyloxatrisilinane is sourced from PubChem (CID 70580123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).