bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane

C32H52Si — CID 123719672

IUPACbis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1=C(C)C2C(C)C(C)C([Si](C)(C)C3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C43)C2C(C)=C1C
InChIInChI=1S/C32H52Si/c1-15-17(3)21(7)29-27(19(15)5)23(9)25(11)31(29)33(13,14)32-26(12)24(10)28-20(6)16(2)18(4)22(8)30(28)32/h23-32H,1-14H3
InChIKeyJZMJIQIYGBYINX-UHFFFAOYSA-N
MW464.85 g/mol
LogP9.84
Rot. Bonds2

About bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane

bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 123719672) has the molecular formula C32H52Si and a molecular weight of 464.85 g/mol. Its IUPAC name is bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID123719672
Molecular FormulaC32H52Si
Molecular Weight464.85 g/mol
Exact Mass464.38
IUPAC Namebis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1=C(C)C2C(C)C(C)C([Si](C)(C)C3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C43)C2C(C)=C1C
InChIInChI=1S/C32H52Si/c1-15-17(3)21(7)29-27(19(15)5)23(9)25(11)31(29)33(13,14)32-26(12)24(10)28-20(6)16(2)18(4)22(8)30(28)32/h23-32H,1-14H3
InChIKeyJZMJIQIYGBYINX-UHFFFAOYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.85
LogP ≤ 59.84
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

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CID 135046583
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CID 135081340
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 17759945
dimethyl-bis(2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 18463884
bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-octylsilane
CID 20576735
dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 20576736
bis(2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 21261176
[4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-[4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-dimethylsilane
CID 57552404
bis[(3aR)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 57882947
bis[(3aR)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 57882951
bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 57885059
[4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-[(4S)-4-(4-tert-butylcyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]-dimethylsilane
CID 57912288

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane (CID 123719672) is bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane is CC1=C(C)C2C(C)C(C)C([Si](C)(C)C3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C43)C2C(C)=C1C.
What is the InChIKey of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is JZMJIQIYGBYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52Si/c1-15-17(3)21(7)29-27(19(15)5)23(9)25(11)31(29)33(13,14)32-26(12)24(10)28-20(6)16(2)18(4)22(8)30(28)32/h23-32H,1-14H3.
What are the key properties of bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 464.85 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 123719672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).