(9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane

C30H48OSi — CID 139250515

IUPAC(9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane
SMILESCC(CCCCCCCCO[Si](C)(C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H48OSi/c1-29(2,3)32(5,6)31-24-18-10-8-7-9-17-23-30(4,25-27-19-13-11-14-20-27)26-28-21-15-12-16-22-28/h11-16,19-22H,7-10,17-18,23-26H2,1-6H3
InChIKeyTWNVUZBKNJJBII-UHFFFAOYSA-N
MW452.80 g/mol
LogP9.23
Rot. Bonds14

About (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane

(9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane (PubChem CID 139250515) has the molecular formula C30H48OSi and a molecular weight of 452.80 g/mol. Its IUPAC name is (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane
PubChem CID139250515
Molecular FormulaC30H48OSi
Molecular Weight452.80 g/mol
Exact Mass452.35
IUPAC Name(9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane
SMILESCC(CCCCCCCCO[Si](C)(C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H48OSi/c1-29(2,3)32(5,6)31-24-18-10-8-7-9-17-23-30(4,25-27-19-13-11-14-20-27)26-28-21-15-12-16-22-28/h11-16,19-22H,7-10,17-18,23-26H2,1-6H3
InChIKeyTWNVUZBKNJJBII-UHFFFAOYSA-N
XLogP9.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.80
LogP ≤ 59.23
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 (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane (CID 139250515) is (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane is CC(CCCCCCCCO[Si](C)(C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane?
The InChIKey is TWNVUZBKNJJBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48OSi/c1-29(2,3)32(5,6)31-24-18-10-8-7-9-17-23-30(4,25-27-19-13-11-14-20-27)26-28-21-15-12-16-22-28/h11-16,19-22H,7-10,17-18,23-26H2,1-6H3.
What are the key properties of (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane?
(9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane has a molecular weight of 452.80 g/mol, XLogP of 9.23, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-9-methyl-10-phenyldecoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 139250515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).