[(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

C32H54Si — CID 140769845

IUPAC[(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
SMILESCC1=C(C)C2C(C(C)=C1C)[C@@H](C)C(C)C2[Si](C)(C)C1C2C(C)[C@@H](C)C(C)=C(C)[C@H]2[C@@H](C)C1C
InChIInChI=1S/C32H54Si/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/h17,21,23-32H,1-14H3/t17-,21?,23-,24-,25?,26?,27-,28?,29?,30?,31?,32?/m0/s1
InChIKeyIKLKHRARBJADLZ-FHVICEHJSA-N
MW466.87 g/mol
LogP9.78
Rot. Bonds2

About [(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

[(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 (PubChem CID 140769845) has the molecular formula C32H54Si and a molecular weight of 466.87 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID140769845
Molecular FormulaC32H54Si
Molecular Weight466.87 g/mol
Exact Mass466.40
IUPAC Name[(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
SMILESCC1=C(C)C2C(C(C)=C1C)[C@@H](C)C(C)C2[Si](C)(C)C1C2C(C)[C@@H](C)C(C)=C(C)[C@H]2[C@@H](C)C1C
InChIInChI=1S/C32H54Si/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/h17,21,23-32H,1-14H3/t17-,21?,23-,24-,25?,26?,27-,28?,29?,30?,31?,32?/m0/s1
InChIKeyIKLKHRARBJADLZ-FHVICEHJSA-N
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.87
LogP ≤ 59.78
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'}

Analyze [(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 with MolForge

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Related Compounds

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dimethyl-bis(2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
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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
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bis[(3aR)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
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bis[(3aR)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
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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
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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC1=C(C)C2C(C(C)=C1C)[C@@H](C)C(C)C2[Si](C)(C)C1C2C(C)[C@@H](C)C(C)=C(C)[C@H]2[C@@H](C)C1C.
What is the InChIKey of [(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?
The InChIKey is IKLKHRARBJADLZ-FHVICEHJSA-N. The full InChI is InChI=1S/C32H54Si/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/h17,21,23-32H,1-14H3/t17-,21?,23-,24-,25?,26?,27-,28?,29?,30?,31?,32?/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 466.87 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 140769845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).