dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane

C22H36Si — CID 54417051

IUPACdimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane
SMILESCC1=C([Si](C)(C)C2=C(C)CC3CCCCC23)C2CCCCC2C1
InChIInChI=1S/C22H36Si/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22/h17-20H,5-14H2,1-4H3
InChIKeyVYEPUWTXUDBBLP-UHFFFAOYSA-N
MW328.62 g/mol
LogP6.83
Rot. Bonds2

About dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane

dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane (PubChem CID 54417051) has the molecular formula C22H36Si and a molecular weight of 328.62 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane
PubChem CID54417051
Molecular FormulaC22H36Si
Molecular Weight328.62 g/mol
Exact Mass328.26
IUPAC Namedimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane
SMILESCC1=C([Si](C)(C)C2=C(C)CC3CCCCC23)C2CCCCC2C1
InChIInChI=1S/C22H36Si/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22/h17-20H,5-14H2,1-4H3
InChIKeyVYEPUWTXUDBBLP-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.62
LogP ≤ 56.83
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

cyclohexyl-dimethyl-[(1R,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 59895391
bis(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane
CID 59957882
[(3aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-(3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl)-(2-cyclopentylethyl)-methylsilane
CID 59957883
cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;propane
CID 90989258
cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 90989259
cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane
CID 91510943
trimethyl-[3-[2-(3-trimethylsilyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]silane
CID 140437582
[3-[2-(4,7-dimethyl-3-trimethylsilyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)ethyl]-4,7-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane
CID 140437583
trimethyl-[2-methyl-3-[2-(2-methyl-3-trimethylsilyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]silane
CID 140437584
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane
CID 140769834
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane
CID 140769840
3-methyl-2-[2-(3-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-2-yl)ethyl]-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 145811869

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane?
The IUPAC name of dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane (CID 54417051) is dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane.
What is the SMILES notation for dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane?
The canonical SMILES for dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane is CC1=C([Si](C)(C)C2=C(C)CC3CCCCC23)C2CCCCC2C1.
What is the InChIKey of dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane?
The InChIKey is VYEPUWTXUDBBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Si/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22/h17-20H,5-14H2,1-4H3.
What are the key properties of dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane?
dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane has a molecular weight of 328.62 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane is sourced from PubChem (CID 54417051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).