2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane

C17H22Si — CID 59962316

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C1CCC2C=CC=CC21
InChIInChI=1S/C17H22Si/c1-18(2,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)17/h3-11,14,16-17H,12-13H2,1-2H3
InChIKeyBTERRAYMQKJFHD-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.12
Rot. Bonds2

About 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane

2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane (PubChem CID 59962316) has the molecular formula C17H22Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
PubChem CID59962316
Molecular FormulaC17H22Si
Molecular Weight254.45 g/mol
Exact Mass254.15
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C1CCC2C=CC=CC21
InChIInChI=1S/C17H22Si/c1-18(2,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)17/h3-11,14,16-17H,12-13H2,1-2H3
InChIKeyBTERRAYMQKJFHD-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.12
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 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane (CID 59962316) is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)C1CCC2C=CC=CC21.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane?
The InChIKey is BTERRAYMQKJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Si/c1-18(2,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)17/h3-11,14,16-17H,12-13H2,1-2H3.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane?
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane has a molecular weight of 254.45 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane is sourced from PubChem (CID 59962316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).