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

C32H48Si — CID 140769840

IUPACbis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1=C(C)C2C([Si](C)(C)C3C(C)=C(C)[C@@H]4C(C)=C(C)C(C)=C(C)C34)C(C)=C(C)[C@@H]2C(C)=C1C
InChIInChI=1S/C32H48Si/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/h27-32H,1-14H3/t27-,28-,29?,30?,31?,32?/m0/s1
InChIKeyXNBSFOUILGJXDK-HFOQCBABSA-N
MW460.82 g/mol
LogP9.97
Rot. Bonds2

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

bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 140769840) has the molecular formula C32H48Si and a molecular weight of 460.82 g/mol. Its IUPAC name is bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane
PubChem CID140769840
Molecular FormulaC32H48Si
Molecular Weight460.82 g/mol
Exact Mass460.35
IUPAC Namebis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1=C(C)C2C([Si](C)(C)C3C(C)=C(C)[C@@H]4C(C)=C(C)C(C)=C(C)C34)C(C)=C(C)[C@@H]2C(C)=C1C
InChIInChI=1S/C32H48Si/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/h27-32H,1-14H3/t27-,28-,29?,30?,31?,32?/m0/s1
InChIKeyXNBSFOUILGJXDK-HFOQCBABSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.82
LogP ≤ 59.97
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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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]-dimethylsilane?
The IUPAC name of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane (CID 140769840) is bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane is CC1=C(C)C2C([Si](C)(C)C3C(C)=C(C)[C@@H]4C(C)=C(C)C(C)=C(C)C34)C(C)=C(C)[C@@H]2C(C)=C1C.
What is the InChIKey of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is XNBSFOUILGJXDK-HFOQCBABSA-N. The full InChI is InChI=1S/C32H48Si/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/h27-32H,1-14H3/t27-,28-,29?,30?,31?,32?/m0/s1.
What are the key properties of bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane?
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 460.82 g/mol, XLogP of 9.97, 2 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]-dimethylsilane is sourced from PubChem (CID 140769840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).