1-(9H-fluoren-9-yl)-1-methylsiletane

C17H18Si — CID 18512845

IUPAC1-(9H-fluoren-9-yl)-1-methylsiletane
SMILESC[Si]1(C2c3ccccc3-c3ccccc32)CCC1
InChIInChI=1S/C17H18Si/c1-18(11-6-12-18)17-15-9-4-2-7-13(15)14-8-3-5-10-16(14)17/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeyAYLANMGFUVROMP-UHFFFAOYSA-N
MW250.42 g/mol
LogP4.82
Rot. Bonds1

About 1-(9H-fluoren-9-yl)-1-methylsiletane

1-(9H-fluoren-9-yl)-1-methylsiletane (PubChem CID 18512845) has the molecular formula C17H18Si and a molecular weight of 250.42 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-1-methylsiletane.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-1-methylsiletane
PubChem CID18512845
Molecular FormulaC17H18Si
Molecular Weight250.42 g/mol
Exact Mass250.12
IUPAC Name1-(9H-fluoren-9-yl)-1-methylsiletane
SMILESC[Si]1(C2c3ccccc3-c3ccccc32)CCC1
InChIInChI=1S/C17H18Si/c1-18(11-6-12-18)17-15-9-4-2-7-13(15)14-8-3-5-10-16(14)17/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeyAYLANMGFUVROMP-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 54.82
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-(9H-fluoren-9-yl)-1-methylsiletane?
The IUPAC name of 1-(9H-fluoren-9-yl)-1-methylsiletane (CID 18512845) is 1-(9H-fluoren-9-yl)-1-methylsiletane.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-1-methylsiletane?
The canonical SMILES for 1-(9H-fluoren-9-yl)-1-methylsiletane is C[Si]1(C2c3ccccc3-c3ccccc32)CCC1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-1-methylsiletane?
The InChIKey is AYLANMGFUVROMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Si/c1-18(11-6-12-18)17-15-9-4-2-7-13(15)14-8-3-5-10-16(14)17/h2-5,7-10,17H,6,11-12H2,1H3.
What are the key properties of 1-(9H-fluoren-9-yl)-1-methylsiletane?
1-(9H-fluoren-9-yl)-1-methylsiletane has a molecular weight of 250.42 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-1-methylsiletane is sourced from PubChem (CID 18512845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).