1,1-dimethyl-2H-siline

C7H12Si — CID 573159

IUPAC1,1-dimethyl-2H-siline
SMILESC[Si]1(C)C=CC=CC1
InChIInChI=1S/C7H12Si/c1-8(2)6-4-3-5-7-8/h3-6H,7H2,1-2H3
InChIKeySBFJKEVRRVWVLN-UHFFFAOYSA-N
MW124.26 g/mol
LogP2.36
Rot. Bonds

About 1,1-dimethyl-2H-siline

1,1-dimethyl-2H-siline (PubChem CID 573159) has the molecular formula C7H12Si and a molecular weight of 124.26 g/mol. Its IUPAC name is 1,1-dimethyl-2H-siline.

Molecular Properties

Compound Name1,1-dimethyl-2H-siline
PubChem CID573159
Molecular FormulaC7H12Si
Molecular Weight124.26 g/mol
Exact Mass124.07
IUPAC Name1,1-dimethyl-2H-siline
SMILESC[Si]1(C)C=CC=CC1
InChIInChI=1S/C7H12Si/c1-8(2)6-4-3-5-7-8/h3-6H,7H2,1-2H3
InChIKeySBFJKEVRRVWVLN-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.26
LogP ≤ 52.36
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 1,1-dimethyl-2H-siline?
The IUPAC name of 1,1-dimethyl-2H-siline (CID 573159) is 1,1-dimethyl-2H-siline.
What is the SMILES notation for 1,1-dimethyl-2H-siline?
The canonical SMILES for 1,1-dimethyl-2H-siline is C[Si]1(C)C=CC=CC1.
What is the InChIKey of 1,1-dimethyl-2H-siline?
The InChIKey is SBFJKEVRRVWVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Si/c1-8(2)6-4-3-5-7-8/h3-6H,7H2,1-2H3.
What are the key properties of 1,1-dimethyl-2H-siline?
1,1-dimethyl-2H-siline has a molecular weight of 124.26 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2H-siline is sourced from PubChem (CID 573159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).