6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine

C36H82Cl6N2SSi6 — CID 155629497

IUPAC6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine
SMILESCC[Si](CC)(CC)N(CCCC(CCSCCC(CCCN([Si](CC)(CC)CC)[Si](CC)(CC)CC)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)[Si](CC)(CC)CC
InChIInChI=1S/C36H82Cl6N2SSi6/c1-13-46(14-2,15-3)43(47(16-4,17-5)18-6)31-25-27-35(50(37,38)39)29-33-45-34-30-36(51(40,41)42)28-26-32-44(48(19-7,20-8)21-9)49(22-10,23-11)24-12/h35-36H,13-34H2,1-12H3
InChIKeyBXKCAHIATDQPGU-UHFFFAOYSA-N
MW956.37 g/mol
LogP16.74
Rot. Bonds32

About 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine

6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine (PubChem CID 155629497) has the molecular formula C36H82Cl6N2SSi6 and a molecular weight of 956.37 g/mol. Its IUPAC name is 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine.

Molecular Properties

Compound Name6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine
PubChem CID155629497
Molecular FormulaC36H82Cl6N2SSi6
Molecular Weight956.37 g/mol
Exact Mass952.29
IUPAC Name6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine
SMILESCC[Si](CC)(CC)N(CCCC(CCSCCC(CCCN([Si](CC)(CC)CC)[Si](CC)(CC)CC)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)[Si](CC)(CC)CC
InChIInChI=1S/C36H82Cl6N2SSi6/c1-13-46(14-2,15-3)43(47(16-4,17-5)18-6)31-25-27-35(50(37,38)39)29-33-45-34-30-36(51(40,41)42)28-26-32-44(48(19-7,20-8)21-9)49(22-10,23-11)24-12/h35-36H,13-34H2,1-12H3
InChIKeyBXKCAHIATDQPGU-UHFFFAOYSA-N
XLogP16.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.37
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine?
The IUPAC name of 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine (CID 155629497) is 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine.
What is the SMILES notation for 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine?
The canonical SMILES for 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine is CC[Si](CC)(CC)N(CCCC(CCSCCC(CCCN([Si](CC)(CC)CC)[Si](CC)(CC)CC)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)[Si](CC)(CC)CC.
What is the InChIKey of 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine?
The InChIKey is BXKCAHIATDQPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H82Cl6N2SSi6/c1-13-46(14-2,15-3)43(47(16-4,17-5)18-6)31-25-27-35(50(37,38)39)29-33-45-34-30-36(51(40,41)42)28-26-32-44(48(19-7,20-8)21-9)49(22-10,23-11)24-12/h35-36H,13-34H2,1-12H3.
What are the key properties of 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine?
6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine has a molecular weight of 956.37 g/mol, XLogP of 16.74, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[bis(triethylsilyl)amino]-3-trichlorosilylhexyl]sulfanyl-4-trichlorosilyl-N,N-bis(triethylsilyl)hexan-1-amine is sourced from PubChem (CID 155629497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).