2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane

C11H17ClSi — CID 19962460

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)C1CCC2C=CC=CC21
InChIInChI=1S/C11H17ClSi/c1-13(2,12)11-8-7-9-5-3-4-6-10(9)11/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNBCWHCSHIZTVBL-UHFFFAOYSA-N
MW212.80 g/mol
LogP3.95
Rot. Bonds1

About 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane

2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane (PubChem CID 19962460) has the molecular formula C11H17ClSi and a molecular weight of 212.80 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane
PubChem CID19962460
Molecular FormulaC11H17ClSi
Molecular Weight212.80 g/mol
Exact Mass212.08
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)C1CCC2C=CC=CC21
InChIInChI=1S/C11H17ClSi/c1-13(2,12)11-8-7-9-5-3-4-6-10(9)11/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNBCWHCSHIZTVBL-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.80
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', '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-chloro-dimethylsilane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane (CID 19962460) is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane is C[Si](C)(Cl)C1CCC2C=CC=CC21.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane?
The InChIKey is NBCWHCSHIZTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClSi/c1-13(2,12)11-8-7-9-5-3-4-6-10(9)11/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane?
2,3,3a,7a-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane has a molecular weight of 212.80 g/mol, XLogP of 3.95, 1 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-chloro-dimethylsilane is sourced from PubChem (CID 19962460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).