butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane

C30H36Si2 — CID 12030739

IUPACbutyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane
SMILESCCCC[Si](C)(c1ccccc1C[Si](C)(C)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H36Si2/c1-5-6-23-32(4,30-22-14-17-25-15-10-12-20-28(25)30)29-21-13-11-16-26(29)24-31(2,3)27-18-8-7-9-19-27/h7-22H,5-6,23-24H2,1-4H3
InChIKeyRGOXSWRSTXGRKI-UHFFFAOYSA-N
MW452.79 g/mol
LogP6.53
Rot. Bonds8

About butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane

butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane (PubChem CID 12030739) has the molecular formula C30H36Si2 and a molecular weight of 452.79 g/mol. Its IUPAC name is butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane.

Molecular Properties

Compound Namebutyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane
PubChem CID12030739
Molecular FormulaC30H36Si2
Molecular Weight452.79 g/mol
Exact Mass452.24
IUPAC Namebutyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane
SMILESCCCC[Si](C)(c1ccccc1C[Si](C)(C)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H36Si2/c1-5-6-23-32(4,30-22-14-17-25-15-10-12-20-28(25)30)29-21-13-11-16-26(29)24-31(2,3)27-18-8-7-9-19-27/h7-22H,5-6,23-24H2,1-4H3
InChIKeyRGOXSWRSTXGRKI-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.79
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane?
The IUPAC name of butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane (CID 12030739) is butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane.
What is the SMILES notation for butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane?
The canonical SMILES for butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane is CCCC[Si](C)(c1ccccc1C[Si](C)(C)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane?
The InChIKey is RGOXSWRSTXGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Si2/c1-5-6-23-32(4,30-22-14-17-25-15-10-12-20-28(25)30)29-21-13-11-16-26(29)24-31(2,3)27-18-8-7-9-19-27/h7-22H,5-6,23-24H2,1-4H3.
What are the key properties of butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane?
butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane has a molecular weight of 452.79 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane is sourced from PubChem (CID 12030739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).