dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane

C28H52Si — CID 59883211

IUPACdimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane
SMILESCC1CC2CC(C)C(C[Si](C)(C)CC3C(C)CC4CC(C)C(C)CC43)C2CC1C
InChIInChI=1S/C28H52Si/c1-17-9-23-11-21(5)27(25(23)13-19(17)3)15-29(7,8)16-28-22(6)12-24-10-18(2)20(4)14-26(24)28/h17-28H,9-16H2,1-8H3
InChIKeyPVLAAQBEGQABSI-UHFFFAOYSA-N
MW416.81 g/mol
LogP8.60
Rot. Bonds4

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

dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane (PubChem CID 59883211) has the molecular formula C28H52Si and a molecular weight of 416.81 g/mol. Its IUPAC name is dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane.

Molecular Properties

Compound Namedimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane
PubChem CID59883211
Molecular FormulaC28H52Si
Molecular Weight416.81 g/mol
Exact Mass416.38
IUPAC Namedimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane
SMILESCC1CC2CC(C)C(C[Si](C)(C)CC3C(C)CC4CC(C)C(C)CC43)C2CC1C
InChIInChI=1S/C28H52Si/c1-17-9-23-11-21(5)27(25(23)13-19(17)3)15-29(7,8)16-28-22(6)12-24-10-18(2)20(4)14-26(24)28/h17-28H,9-16H2,1-8H3
InChIKeyPVLAAQBEGQABSI-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.81
LogP ≤ 58.60
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 dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane?
The IUPAC name of dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane (CID 59883211) is dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane.
What is the SMILES notation for dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane?
The canonical SMILES for dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane is CC1CC2CC(C)C(C[Si](C)(C)CC3C(C)CC4CC(C)C(C)CC43)C2CC1C.
What is the InChIKey of dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane?
The InChIKey is PVLAAQBEGQABSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52Si/c1-17-9-23-11-21(5)27(25(23)13-19(17)3)15-29(7,8)16-28-22(6)12-24-10-18(2)20(4)14-26(24)28/h17-28H,9-16H2,1-8H3.
What are the key properties of dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane?
dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane has a molecular weight of 416.81 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[(2,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]silane is sourced from PubChem (CID 59883211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).