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

C34H64Si — CID 123768485

IUPACdimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCC(C)C1CC(C(C)C)C2CC(C)C([Si](C)(C)C3C(C)CC4C(C(C)C)CC(C(C)C)CC43)C2C1
InChIInChI=1S/C34H64Si/c1-19(2)25-15-27(21(5)6)29-13-23(9)33(31(29)17-25)35(11,12)34-24(10)14-30-28(22(7)8)16-26(20(3)4)18-32(30)34/h19-34H,13-18H2,1-12H3
InChIKeyBOUBVWXLRBFLTF-UHFFFAOYSA-N
MW500.97 g/mol
LogP10.66
Rot. Bonds6

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

dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (PubChem CID 123768485) has the molecular formula C34H64Si and a molecular weight of 500.97 g/mol. Its IUPAC name is dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
PubChem CID123768485
Molecular FormulaC34H64Si
Molecular Weight500.97 g/mol
Exact Mass500.48
IUPAC Namedimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCC(C)C1CC(C(C)C)C2CC(C)C([Si](C)(C)C3C(C)CC4C(C(C)C)CC(C(C)C)CC43)C2C1
InChIInChI=1S/C34H64Si/c1-19(2)25-15-27(21(5)6)29-13-23(9)33(31(29)17-25)35(11,12)34-24(10)14-30-28(22(7)8)16-26(20(3)4)18-32(30)34/h19-34H,13-18H2,1-12H3
InChIKeyBOUBVWXLRBFLTF-UHFFFAOYSA-N
XLogP10.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.97
LogP ≤ 510.66
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-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The IUPAC name of dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (CID 123768485) is dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The canonical SMILES for dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is CC(C)C1CC(C(C)C)C2CC(C)C([Si](C)(C)C3C(C)CC4C(C(C)C)CC(C(C)C)CC43)C2C1.
What is the InChIKey of dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The InChIKey is BOUBVWXLRBFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64Si/c1-19(2)25-15-27(21(5)6)29-13-23(9)33(31(29)17-25)35(11,12)34-24(10)14-30-28(22(7)8)16-26(20(3)4)18-32(30)34/h19-34H,13-18H2,1-12H3.
What are the key properties of dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane has a molecular weight of 500.97 g/mol, XLogP of 10.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 123768485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).