[3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane

C17H40Si6 — CID 175584555

IUPAC[3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane
SMILESCC1=C(C)C(C)C(C)(C(C)=C(C([SiH3])([SiH3])[SiH3])C([SiH3])([SiH3])[SiH3])C(C)=C1C
InChIInChI=1S/C17H40Si6/c1-8-9(2)11(4)15(7,12(5)10(8)3)13(6)14(16(18,19)20)17(21,22)23/h11H,1-7,18-23H3
InChIKeyUOLRBQMOAFSNNP-UHFFFAOYSA-N
MW413.02 g/mol
LogP-2.03
Rot. Bonds3

About [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane

[3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane (PubChem CID 175584555) has the molecular formula C17H40Si6 and a molecular weight of 413.02 g/mol. Its IUPAC name is [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane.

Molecular Properties

Compound Name[3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane
PubChem CID175584555
Molecular FormulaC17H40Si6
Molecular Weight413.02 g/mol
Exact Mass412.17
IUPAC Name[3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane
SMILESCC1=C(C)C(C)C(C)(C(C)=C(C([SiH3])([SiH3])[SiH3])C([SiH3])([SiH3])[SiH3])C(C)=C1C
InChIInChI=1S/C17H40Si6/c1-8-9(2)11(4)15(7,12(5)10(8)3)13(6)14(16(18,19)20)17(21,22)23/h11H,1-7,18-23H3
InChIKeyUOLRBQMOAFSNNP-UHFFFAOYSA-N
XLogP-2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.02
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane?
The IUPAC name of [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane (CID 175584555) is [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane.
What is the SMILES notation for [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane?
The canonical SMILES for [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane is CC1=C(C)C(C)C(C)(C(C)=C(C([SiH3])([SiH3])[SiH3])C([SiH3])([SiH3])[SiH3])C(C)=C1C.
What is the InChIKey of [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane?
The InChIKey is UOLRBQMOAFSNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40Si6/c1-8-9(2)11(4)15(7,12(5)10(8)3)13(6)14(16(18,19)20)17(21,22)23/h11H,1-7,18-23H3.
What are the key properties of [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane?
[3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane has a molecular weight of 413.02 g/mol, XLogP of -2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,3,4,5,6-hexamethylcyclohexa-2,4-dien-1-yl)-1,1-disilyl-2-(trisilylmethyl)but-2-enyl]silane is sourced from PubChem (CID 175584555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).