6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one

C21H22O2Si — CID 152547985

IUPAC6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one
SMILESCOc1cccc2c1C=C1c3ccccc3C(=O)C1C2[Si](C)(C)C
InChIInChI=1S/C21H22O2Si/c1-23-18-11-7-10-15-16(18)12-17-13-8-5-6-9-14(13)20(22)19(17)21(15)24(2,3)4/h5-12,19,21H,1-4H3
InChIKeyYMWSGWMTBTZYQY-UHFFFAOYSA-N
MW334.49 g/mol
LogP5.02
Rot. Bonds2

About 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one

6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one (PubChem CID 152547985) has the molecular formula C21H22O2Si and a molecular weight of 334.49 g/mol. Its IUPAC name is 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one.

Molecular Properties

Compound Name6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one
PubChem CID152547985
Molecular FormulaC21H22O2Si
Molecular Weight334.49 g/mol
Exact Mass334.14
IUPAC Name6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one
SMILESCOc1cccc2c1C=C1c3ccccc3C(=O)C1C2[Si](C)(C)C
InChIInChI=1S/C21H22O2Si/c1-23-18-11-7-10-15-16(18)12-17-13-8-5-6-9-14(13)20(22)19(17)21(15)24(2,3)4/h5-12,19,21H,1-4H3
InChIKeyYMWSGWMTBTZYQY-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one?
The IUPAC name of 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one (CID 152547985) is 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one.
What is the SMILES notation for 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one?
The canonical SMILES for 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one is COc1cccc2c1C=C1c3ccccc3C(=O)C1C2[Si](C)(C)C.
What is the InChIKey of 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one?
The InChIKey is YMWSGWMTBTZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2Si/c1-23-18-11-7-10-15-16(18)12-17-13-8-5-6-9-14(13)20(22)19(17)21(15)24(2,3)4/h5-12,19,21H,1-4H3.
What are the key properties of 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one?
6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one has a molecular weight of 334.49 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-10-trimethylsilyl-10,10a-dihydrobenzo[b]fluoren-11-one is sourced from PubChem (CID 152547985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).