2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one

C19H21ClOSi — CID 71679698

IUPAC2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one
SMILESC[Si](C)(C)c1c(CCCCl)ccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C19H21ClOSi/c1-22(2,3)19-13(7-6-12-20)10-11-15-14-8-4-5-9-16(14)18(21)17(15)19/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyCIMDMEKOWCMGMF-UHFFFAOYSA-N
MW328.92 g/mol
LogP4.61
Rot. Bonds4

About 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one

2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one (PubChem CID 71679698) has the molecular formula C19H21ClOSi and a molecular weight of 328.92 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one
PubChem CID71679698
Molecular FormulaC19H21ClOSi
Molecular Weight328.92 g/mol
Exact Mass328.11
IUPAC Name2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one
SMILESC[Si](C)(C)c1c(CCCCl)ccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C19H21ClOSi/c1-22(2,3)19-13(7-6-12-20)10-11-15-14-8-4-5-9-16(14)18(21)17(15)19/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyCIMDMEKOWCMGMF-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.92
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one?
The IUPAC name of 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one (CID 71679698) is 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one.
What is the SMILES notation for 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one?
The canonical SMILES for 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one is C[Si](C)(C)c1c(CCCCl)ccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one?
The InChIKey is CIMDMEKOWCMGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClOSi/c1-22(2,3)19-13(7-6-12-20)10-11-15-14-8-4-5-9-16(14)18(21)17(15)19/h4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one?
2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one has a molecular weight of 328.92 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-trimethylsilylfluoren-9-one is sourced from PubChem (CID 71679698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).