cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane

C34H40OSi — CID 144518056

IUPACcyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane
SMILESC[Si@](c1cccc2ccccc12)(c1ccc(OCC2CCCCC2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C34H40OSi/c1-36(28-17-6-3-7-18-28,33-22-12-16-27-15-8-9-19-29(27)33)34-24-23-32(30-20-10-11-21-31(30)34)35-25-26-13-4-2-5-14-26/h8-12,15-16,19-24,26,28H,2-7,13-14,17-18,25H2,1H3/t36-/m0/s1
InChIKeyWKMBZLKXYVHYTJ-BHVANESWSA-N
MW492.78 g/mol
LogP8.48
Rot. Bonds6

About cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane

cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane (PubChem CID 144518056) has the molecular formula C34H40OSi and a molecular weight of 492.78 g/mol. Its IUPAC name is cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane.

Molecular Properties

Compound Namecyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane
PubChem CID144518056
Molecular FormulaC34H40OSi
Molecular Weight492.78 g/mol
Exact Mass492.28
IUPAC Namecyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane
SMILESC[Si@](c1cccc2ccccc12)(c1ccc(OCC2CCCCC2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C34H40OSi/c1-36(28-17-6-3-7-18-28,33-22-12-16-27-15-8-9-19-29(27)33)34-24-23-32(30-20-10-11-21-31(30)34)35-25-26-13-4-2-5-14-26/h8-12,15-16,19-24,26,28H,2-7,13-14,17-18,25H2,1H3/t36-/m0/s1
InChIKeyWKMBZLKXYVHYTJ-BHVANESWSA-N
XLogP8.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.78
LogP ≤ 58.48
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 cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane?
The IUPAC name of cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane (CID 144518056) is cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane.
What is the SMILES notation for cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane?
The canonical SMILES for cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane is C[Si@](c1cccc2ccccc12)(c1ccc(OCC2CCCCC2)c2ccccc12)C1CCCCC1.
What is the InChIKey of cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane?
The InChIKey is WKMBZLKXYVHYTJ-BHVANESWSA-N. The full InChI is InChI=1S/C34H40OSi/c1-36(28-17-6-3-7-18-28,33-22-12-16-27-15-8-9-19-29(27)33)34-24-23-32(30-20-10-11-21-31(30)34)35-25-26-13-4-2-5-14-26/h8-12,15-16,19-24,26,28H,2-7,13-14,17-18,25H2,1H3/t36-/m0/s1.
What are the key properties of cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane?
cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane has a molecular weight of 492.78 g/mol, XLogP of 8.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane is sourced from PubChem (CID 144518056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).