6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane

C21H46OSi2 — CID 66961635

IUPAC6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane
SMILESCCCCCCCC1(CCCCCCC)CC[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C21H46OSi2/c1-7-9-11-13-15-17-21(18-16-14-12-10-8-2)19-20-23(3,4)24(5,6)22-21/h7-20H2,1-6H3
InChIKeyDYEGKOQMBLTJMW-UHFFFAOYSA-N
MW370.77 g/mol
LogP7.86
Rot. Bonds12

About 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane

6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane (PubChem CID 66961635) has the molecular formula C21H46OSi2 and a molecular weight of 370.77 g/mol. Its IUPAC name is 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane.

Molecular Properties

Compound Name6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane
PubChem CID66961635
Molecular FormulaC21H46OSi2
Molecular Weight370.77 g/mol
Exact Mass370.31
IUPAC Name6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane
SMILESCCCCCCCC1(CCCCCCC)CC[Si](C)(C)[Si](C)(C)O1
InChIInChI=1S/C21H46OSi2/c1-7-9-11-13-15-17-21(18-16-14-12-10-8-2)19-20-23(3,4)24(5,6)22-21/h7-20H2,1-6H3
InChIKeyDYEGKOQMBLTJMW-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.77
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane?
The IUPAC name of 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane (CID 66961635) is 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane.
What is the SMILES notation for 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane?
The canonical SMILES for 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane is CCCCCCCC1(CCCCCCC)CC[Si](C)(C)[Si](C)(C)O1.
What is the InChIKey of 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane?
The InChIKey is DYEGKOQMBLTJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OSi2/c1-7-9-11-13-15-17-21(18-16-14-12-10-8-2)19-20-23(3,4)24(5,6)22-21/h7-20H2,1-6H3.
What are the key properties of 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane?
6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane has a molecular weight of 370.77 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diheptyl-2,2,3,3-tetramethyloxadisilinane is sourced from PubChem (CID 66961635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).