(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

C30H40Si — CID 156675178

IUPAC(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
SMILESCc1cc(C)cc(C2CC3C=CC=CC3C2[Si](C)(C)C2C(C)C3C=CC=CC3C2C)c1
InChIInChI=1S/C30H40Si/c1-19-15-20(2)17-24(16-19)28-18-23-11-7-8-14-27(23)30(28)31(5,6)29-21(3)25-12-9-10-13-26(25)22(29)4/h7-17,21-23,25-30H,18H2,1-6H3
InChIKeyIHGNRLBDOOTJNQ-UHFFFAOYSA-N
MW428.74 g/mol
LogP8.24
Rot. Bonds3

About (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 156675178) has the molecular formula C30H40Si and a molecular weight of 428.74 g/mol. Its IUPAC name is (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Name(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID156675178
Molecular FormulaC30H40Si
Molecular Weight428.74 g/mol
Exact Mass428.29
IUPAC Name(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
SMILESCc1cc(C)cc(C2CC3C=CC=CC3C2[Si](C)(C)C2C(C)C3C=CC=CC3C2C)c1
InChIInChI=1S/C30H40Si/c1-19-15-20(2)17-24(16-19)28-18-23-11-7-8-14-27(23)30(28)31(5,6)29-21(3)25-12-9-10-13-26(25)22(29)4/h7-17,21-23,25-30H,18H2,1-6H3
InChIKeyIHGNRLBDOOTJNQ-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 58.24
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 (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (CID 156675178) is (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is Cc1cc(C)cc(C2CC3C=CC=CC3C2[Si](C)(C)C2C(C)C3C=CC=CC3C2C)c1.
What is the InChIKey of (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is IHGNRLBDOOTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40Si/c1-19-15-20(2)17-24(16-19)28-18-23-11-7-8-14-27(23)30(28)31(5,6)29-21(3)25-12-9-10-13-26(25)22(29)4/h7-17,21-23,25-30H,18H2,1-6H3.
What are the key properties of (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 428.74 g/mol, XLogP of 8.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 156675178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).