bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane

C34H52Si — CID 140769834

IUPACbis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane
SMILESCCC[Si](C)(C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12
InChIInChI=1S/C34H52Si/c1-15-16-35(14,33-27(12)25(10)29-21(6)17(2)19(4)23(8)31(29)33)34-28(13)26(11)30-22(7)18(3)20(5)24(9)32(30)34/h29-34H,15-16H2,1-14H3/t29-,30-,31?,32?,33?,34?,35?/m0/s1
InChIKeyFBNXWNDLJVKREC-REQKNKAJSA-N
MW488.88 g/mol
LogP10.75
Rot. Bonds4

About bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane

bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane (PubChem CID 140769834) has the molecular formula C34H52Si and a molecular weight of 488.88 g/mol. Its IUPAC name is bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane.

Molecular Properties

Compound Namebis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane
PubChem CID140769834
Molecular FormulaC34H52Si
Molecular Weight488.88 g/mol
Exact Mass488.38
IUPAC Namebis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane
SMILESCCC[Si](C)(C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12
InChIInChI=1S/C34H52Si/c1-15-16-35(14,33-27(12)25(10)29-21(6)17(2)19(4)23(8)31(29)33)34-28(13)26(11)30-22(7)18(3)20(5)24(9)32(30)34/h29-34H,15-16H2,1-14H3/t29-,30-,31?,32?,33?,34?,35?/m0/s1
InChIKeyFBNXWNDLJVKREC-REQKNKAJSA-N
XLogP10.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.88
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(2,3,3a,4,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-5-yl)silane
CID 13273605
trimethyl-[2-methyl-3-(trimethylsilylmethyl)-4,5,6,7-tetrahydro-3H-inden-1-yl]silane
CID 17783110
Tert-butyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;carbanide;titanium(4+)
CID 17783140
Tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;carbanide;titanium(4+)
CID 17783166
dimethyl-bis(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)silane
CID 54417051
dimethyl-(1,2,3,4,5,6,7,8-octamethyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-[(3R,4S)-2,3,4,5-tetramethylcyclopentyl]silane
CID 59873930
bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 123719672
2-(4-Cyclohexylcyclohexyl)-5-(1,1-diethyl-3,4,5-trimethylsilol-2-yl)-1,1-diethyl-3,4-dimethylsilole
CID 140435075
[(3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[(3R,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
CID 140769835
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-prop-2-enylsilane
CID 140769838
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane
CID 140769840
[(3R,3aS,6R,7S)-2,3,4,5,6,7-hexamethyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]-[(3R)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140769845

Frequently Asked Questions

What is the IUPAC name of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane?
The IUPAC name of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane (CID 140769834) is bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane.
What is the SMILES notation for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane?
The canonical SMILES for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane is CCC[Si](C)(C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12)C1C(C)=C(C)[C@@H]2C(C)=C(C)C(C)=C(C)C12.
What is the InChIKey of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane?
The InChIKey is FBNXWNDLJVKREC-REQKNKAJSA-N. The full InChI is InChI=1S/C34H52Si/c1-15-16-35(14,33-27(12)25(10)29-21(6)17(2)19(4)23(8)31(29)33)34-28(13)26(11)30-22(7)18(3)20(5)24(9)32(30)34/h29-34H,15-16H2,1-14H3/t29-,30-,31?,32?,33?,34?,35?/m0/s1.
What are the key properties of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane?
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane has a molecular weight of 488.88 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane is sourced from PubChem (CID 140769834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).