chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane

C16H21ClSi — CID 18468872

IUPACchloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane
SMILESCC1=C(C)C([Si](C)(C)Cl)c2cc3c(cc21)CCC3
InChIInChI=1S/C16H21ClSi/c1-10-11(2)16(18(3,4)17)15-9-13-7-5-6-12(13)8-14(10)15/h8-9,16H,5-7H2,1-4H3
InChIKeyDBPUPDSXMRQMFB-UHFFFAOYSA-N
MW276.88 g/mol
LogP5.05
Rot. Bonds1

About chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane

chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane (PubChem CID 18468872) has the molecular formula C16H21ClSi and a molecular weight of 276.88 g/mol. Its IUPAC name is chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane
PubChem CID18468872
Molecular FormulaC16H21ClSi
Molecular Weight276.88 g/mol
Exact Mass276.11
IUPAC Namechloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane
SMILESCC1=C(C)C([Si](C)(C)Cl)c2cc3c(cc21)CCC3
InChIInChI=1S/C16H21ClSi/c1-10-11(2)16(18(3,4)17)15-9-13-7-5-6-12(13)8-14(10)15/h8-9,16H,5-7H2,1-4H3
InChIKeyDBPUPDSXMRQMFB-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.88
LogP ≤ 55.05
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 chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane?
The IUPAC name of chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane (CID 18468872) is chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane.
What is the SMILES notation for chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane?
The canonical SMILES for chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane is CC1=C(C)C([Si](C)(C)Cl)c2cc3c(cc21)CCC3.
What is the InChIKey of chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane?
The InChIKey is DBPUPDSXMRQMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClSi/c1-10-11(2)16(18(3,4)17)15-9-13-7-5-6-12(13)8-14(10)15/h8-9,16H,5-7H2,1-4H3.
What are the key properties of chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane?
chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane has a molecular weight of 276.88 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane is sourced from PubChem (CID 18468872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).