bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane

C31H50Si — CID 162285225

IUPACbis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane
SMILESCC1=C(C)C2C(C)C(C)C([SiH](C)C3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C43)C2C(C)=C1C
InChIInChI=1S/C31H50Si/c1-14-16(3)20(7)28-26(18(14)5)22(9)24(11)30(28)32(13)31-25(12)23(10)27-19(6)15(2)17(4)21(8)29(27)31/h22-32H,1-13H3
InChIKeyHJQMNRGZMSLVKY-UHFFFAOYSA-N
MW450.83 g/mol
LogP8.99
Rot. Bonds2

About bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane

bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane (PubChem CID 162285225) has the molecular formula C31H50Si and a molecular weight of 450.83 g/mol. Its IUPAC name is bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane.

Molecular Properties

Compound Namebis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane
PubChem CID162285225
Molecular FormulaC31H50Si
Molecular Weight450.83 g/mol
Exact Mass450.37
IUPAC Namebis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane
SMILESCC1=C(C)C2C(C)C(C)C([SiH](C)C3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C43)C2C(C)=C1C
InChIInChI=1S/C31H50Si/c1-14-16(3)20(7)28-26(18(14)5)22(9)24(11)30(28)32(13)31-25(12)23(10)27-19(6)15(2)17(4)21(8)29(27)31/h22-32H,1-13H3
InChIKeyHJQMNRGZMSLVKY-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.83
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 162283851
(3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140598479
1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 123969397
carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane
CID 162271583
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 158383790
1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 162269004
carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
CID 155885990
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
CID 74765453
2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine
CID 155197259
carbanide;2,4-ditert-butyl-6-[(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]phenol;titanium(3+)
CID 171770986
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phosphane
CID 59930622

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane?
The IUPAC name of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane (CID 162285225) is bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane.
What is the SMILES notation for bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane?
The canonical SMILES for bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane is CC1=C(C)C2C(C)C(C)C([SiH](C)C3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C43)C2C(C)=C1C.
What is the InChIKey of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane?
The InChIKey is HJQMNRGZMSLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50Si/c1-14-16(3)20(7)28-26(18(14)5)22(9)24(11)30(28)32(13)31-25(12)23(10)27-19(6)15(2)17(4)21(8)29(27)31/h22-32H,1-13H3.
What are the key properties of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane?
bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane has a molecular weight of 450.83 g/mol, XLogP of 8.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane is sourced from PubChem (CID 162285225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).