[2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane

C24H72Si14 — CID 11505936

IUPAC[2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane
SMILESC[Si](C)(C)[Si]12[Si](C)(C)[Si](C)(C)[Si]([Si]3(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]3(C)C)([Si](C)(C)[Si]1(C)C)[Si]2(C)C
InChIInChI=1S/C24H72Si14/c1-25(2,3)37-31(14,15)33(18,19)38(35(37,22)23,34(20,21)32(37,16)17)36(24)29(10,11)27(6,7)26(4,5)28(8,9)30(36,12)13/h1-24H3
InChIKeyUPXVBSFLMJGCAY-UHFFFAOYSA-N
MW754.04 g/mol
LogP8.68
Rot. Bonds2

About [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane

[2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane (PubChem CID 11505936) has the molecular formula C24H72Si14 and a molecular weight of 754.04 g/mol. Its IUPAC name is [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane
PubChem CID11505936
Molecular FormulaC24H72Si14
Molecular Weight754.04 g/mol
Exact Mass752.24
IUPAC Name[2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane
SMILESC[Si](C)(C)[Si]12[Si](C)(C)[Si](C)(C)[Si]([Si]3(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]3(C)C)([Si](C)(C)[Si]1(C)C)[Si]2(C)C
InChIInChI=1S/C24H72Si14/c1-25(2,3)37-31(14,15)33(18,19)38(35(37,22)23,34(20,21)32(37,16)17)36(24)29(10,11)27(6,7)26(4,5)28(8,9)30(36,12)13/h1-24H3
InChIKeyUPXVBSFLMJGCAY-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.04
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane?
The IUPAC name of [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane (CID 11505936) is [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane.
What is the SMILES notation for [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane?
The canonical SMILES for [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane is C[Si](C)(C)[Si]12[Si](C)(C)[Si](C)(C)[Si]([Si]3(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]3(C)C)([Si](C)(C)[Si]1(C)C)[Si]2(C)C.
What is the InChIKey of [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane?
The InChIKey is UPXVBSFLMJGCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H72Si14/c1-25(2,3)37-31(14,15)33(18,19)38(35(37,22)23,34(20,21)32(37,16)17)36(24)29(10,11)27(6,7)26(4,5)28(8,9)30(36,12)13/h1-24H3.
What are the key properties of [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane?
[2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane has a molecular weight of 754.04 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3,5,5,6,6,7,7-decamethyl-4-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)-1,2,3,4,5,6,7-heptasilabicyclo[2.2.1]heptan-1-yl]-trimethylsilane is sourced from PubChem (CID 11505936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).