disodium;benzene;ditert-butyl(phenyl)silanide;oxolane

C24H37Na2OSi+ — CID 73163246

IUPACdisodium;benzene;ditert-butyl(phenyl)silanide;oxolane
SMILESC1CCOC1.CC(C)(C)[Si-](c1ccccc1)C(C)(C)C.[Na+].[Na+].c1ccccc1
InChIInChI=1S/C14H23Si.C6H6.C4H8O.2Na/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h7-11H,1-6H3;1-6H;1-4H2;;/q-1;;;2*+1
InChIKeyJUDGWQUQJOPUHX-UHFFFAOYSA-N
MW415.63 g/mol
LogP0.48
Rot. Bonds1

About disodium;benzene;ditert-butyl(phenyl)silanide;oxolane

disodium;benzene;ditert-butyl(phenyl)silanide;oxolane (PubChem CID 73163246) has the molecular formula C24H37Na2OSi+ and a molecular weight of 415.63 g/mol. Its IUPAC name is disodium;benzene;ditert-butyl(phenyl)silanide;oxolane.

Molecular Properties

Compound Namedisodium;benzene;ditert-butyl(phenyl)silanide;oxolane
PubChem CID73163246
Molecular FormulaC24H37Na2OSi+
Molecular Weight415.63 g/mol
Exact Mass415.24
IUPAC Namedisodium;benzene;ditert-butyl(phenyl)silanide;oxolane
SMILESC1CCOC1.CC(C)(C)[Si-](c1ccccc1)C(C)(C)C.[Na+].[Na+].c1ccccc1
InChIInChI=1S/C14H23Si.C6H6.C4H8O.2Na/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h7-11H,1-6H3;1-6H;1-4H2;;/q-1;;;2*+1
InChIKeyJUDGWQUQJOPUHX-UHFFFAOYSA-N
XLogP0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 50.48
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 disodium;benzene;ditert-butyl(phenyl)silanide;oxolane?
The IUPAC name of disodium;benzene;ditert-butyl(phenyl)silanide;oxolane (CID 73163246) is disodium;benzene;ditert-butyl(phenyl)silanide;oxolane.
What is the SMILES notation for disodium;benzene;ditert-butyl(phenyl)silanide;oxolane?
The canonical SMILES for disodium;benzene;ditert-butyl(phenyl)silanide;oxolane is C1CCOC1.CC(C)(C)[Si-](c1ccccc1)C(C)(C)C.[Na+].[Na+].c1ccccc1.
What is the InChIKey of disodium;benzene;ditert-butyl(phenyl)silanide;oxolane?
The InChIKey is JUDGWQUQJOPUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Si.C6H6.C4H8O.2Na/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h7-11H,1-6H3;1-6H;1-4H2;;/q-1;;;2*+1.
What are the key properties of disodium;benzene;ditert-butyl(phenyl)silanide;oxolane?
disodium;benzene;ditert-butyl(phenyl)silanide;oxolane has a molecular weight of 415.63 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;benzene;ditert-butyl(phenyl)silanide;oxolane is sourced from PubChem (CID 73163246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).