1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane

C24H60Si6 — CID 12637408

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane
SMILESCC[Si]1(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si]1(CC)CC
InChIInChI=1S/C24H60Si6/c1-13-25(14-2)26(15-3,16-4)28(19-7,20-8)30(23-11,24-12)29(21-9,22-10)27(25,17-5)18-6/h13-24H2,1-12H3
InChIKeyNJCFKZYBDMYHON-UHFFFAOYSA-N
MW517.26 g/mol
LogP9.40
Rot. Bonds12

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane

1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane (PubChem CID 12637408) has the molecular formula C24H60Si6 and a molecular weight of 517.26 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane
PubChem CID12637408
Molecular FormulaC24H60Si6
Molecular Weight517.26 g/mol
Exact Mass516.33
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane
SMILESCC[Si]1(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si]1(CC)CC
InChIInChI=1S/C24H60Si6/c1-13-25(14-2)26(15-3,16-4)28(19-7,20-8)30(23-11,24-12)29(21-9,22-10)27(25,17-5)18-6/h13-24H2,1-12H3
InChIKeyNJCFKZYBDMYHON-UHFFFAOYSA-N
XLogP9.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.26
LogP ≤ 59.40
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 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane (CID 12637408) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane is CC[Si]1(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si](CC)(CC)[Si]1(CC)CC.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane?
The InChIKey is NJCFKZYBDMYHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H60Si6/c1-13-25(14-2)26(15-3,16-4)28(19-7,20-8)30(23-11,24-12)29(21-9,22-10)27(25,17-5)18-6/h13-24H2,1-12H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane?
1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane has a molecular weight of 517.26 g/mol, XLogP of 9.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecaethylhexasilinane is sourced from PubChem (CID 12637408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).