1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane

C27H48Si — CID 123292076

IUPAC1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane
SMILESCC1CCC(C)C2C1CCC2[Si]1(C2CCC3C(C)CCC(C)C32)CCCCC1
InChIInChI=1S/C27H48Si/c1-18-8-10-20(3)26-22(18)12-14-24(26)28(16-6-5-7-17-28)25-15-13-23-19(2)9-11-21(4)27(23)25/h18-27H,5-17H2,1-4H3
InChIKeyQWLBVOOTZVOLKL-UHFFFAOYSA-N
MW400.77 g/mol
LogP8.54
Rot. Bonds2

About 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane

1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane (PubChem CID 123292076) has the molecular formula C27H48Si and a molecular weight of 400.77 g/mol. Its IUPAC name is 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane.

Molecular Properties

Compound Name1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane
PubChem CID123292076
Molecular FormulaC27H48Si
Molecular Weight400.77 g/mol
Exact Mass400.35
IUPAC Name1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane
SMILESCC1CCC(C)C2C1CCC2[Si]1(C2CCC3C(C)CCC(C)C32)CCCCC1
InChIInChI=1S/C27H48Si/c1-18-8-10-20(3)26-22(18)12-14-24(26)28(16-6-5-7-17-28)25-15-13-23-19(2)9-11-21(4)27(23)25/h18-27H,5-17H2,1-4H3
InChIKeyQWLBVOOTZVOLKL-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.77
LogP ≤ 58.54
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 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane?
The IUPAC name of 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane (CID 123292076) is 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane.
What is the SMILES notation for 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane?
The canonical SMILES for 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane is CC1CCC(C)C2C1CCC2[Si]1(C2CCC3C(C)CCC(C)C32)CCCCC1.
What is the InChIKey of 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane?
The InChIKey is QWLBVOOTZVOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48Si/c1-18-8-10-20(3)26-22(18)12-14-24(26)28(16-6-5-7-17-28)25-15-13-23-19(2)9-11-21(4)27(23)25/h18-27H,5-17H2,1-4H3.
What are the key properties of 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane?
1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane has a molecular weight of 400.77 g/mol, XLogP of 8.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silinane is sourced from PubChem (CID 123292076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).