(2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene

C16H26N2OSi — CID 13168427

IUPAC(2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene
SMILESCC1(/N=N/c2ccccc2)O[Si](C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H26N2OSi/c1-14(2)15(3,4)20(6,7)19-16(14,5)18-17-13-11-9-8-10-12-13/h8-12H,1-7H3/b18-17+
InChIKeyHPVSRZFCXTUZGP-ISLYRVAYSA-N
MW290.48 g/mol
LogP5.53
Rot. Bonds2

About (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene

(2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene (PubChem CID 13168427) has the molecular formula C16H26N2OSi and a molecular weight of 290.48 g/mol. Its IUPAC name is (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene.

Molecular Properties

Compound Name(2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene
PubChem CID13168427
Molecular FormulaC16H26N2OSi
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name(2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene
SMILESCC1(/N=N/c2ccccc2)O[Si](C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H26N2OSi/c1-14(2)15(3,4)20(6,7)19-16(14,5)18-17-13-11-9-8-10-12-13/h8-12H,1-7H3/b18-17+
InChIKeyHPVSRZFCXTUZGP-ISLYRVAYSA-N
XLogP5.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.48
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene?
The IUPAC name of (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene (CID 13168427) is (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene.
What is the SMILES notation for (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene?
The canonical SMILES for (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene is CC1(/N=N/c2ccccc2)O[Si](C)(C)C(C)(C)C1(C)C.
What is the InChIKey of (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene?
The InChIKey is HPVSRZFCXTUZGP-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H26N2OSi/c1-14(2)15(3,4)20(6,7)19-16(14,5)18-17-13-11-9-8-10-12-13/h8-12H,1-7H3/b18-17+.
What are the key properties of (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene?
(2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene has a molecular weight of 290.48 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,5-heptamethyloxasilolan-5-yl)-phenyldiazene is sourced from PubChem (CID 13168427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).