5-triethylsilylphenalene-1,3-dione

C19H22O2Si — CID 134843965

IUPAC5-triethylsilylphenalene-1,3-dione
SMILESCC[Si](CC)(CC)c1cc2c3c(cccc3c1)C(=O)CC2=O
InChIInChI=1S/C19H22O2Si/c1-4-22(5-2,6-3)14-10-13-8-7-9-15-17(20)12-18(21)16(11-14)19(13)15/h7-11H,4-6,12H2,1-3H3
InChIKeyJDBGLAIUSROEKJ-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.32
Rot. Bonds4

About 5-triethylsilylphenalene-1,3-dione

5-triethylsilylphenalene-1,3-dione (PubChem CID 134843965) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 5-triethylsilylphenalene-1,3-dione.

Molecular Properties

Compound Name5-triethylsilylphenalene-1,3-dione
PubChem CID134843965
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Name5-triethylsilylphenalene-1,3-dione
SMILESCC[Si](CC)(CC)c1cc2c3c(cccc3c1)C(=O)CC2=O
InChIInChI=1S/C19H22O2Si/c1-4-22(5-2,6-3)14-10-13-8-7-9-15-17(20)12-18(21)16(11-14)19(13)15/h7-11H,4-6,12H2,1-3H3
InChIKeyJDBGLAIUSROEKJ-UHFFFAOYSA-N
XLogP4.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

triethyl(pyren-2-yl)silane
CID 134844118
ethane;hexacyclo[12.6.1.14,7.02,12.017,21.011,22]docosa-1(21),2(12),3,7,9,11(22),13,17,19-nonaene-6,16-dione
CID 145486097
6-triethylsilylbenzo[c]fluoren-7-one
CID 11484728
ethyl fluoranthene-2-carboxylate
CID 158100580
2-ethylbenzo[b]phenalen-7-one
CID 163449460
6-methoxyphenalene-1,3-dione
CID 22763709
benzo[k]fluoranthene;ethane
CID 142369852
benzo[a]phenalen-7-one;ethane
CID 90765972
fluoranthene
CID 139203734
10-triethylsilylbenzo[b]fluoren-11-one
CID 11256447
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753

Frequently Asked Questions

What is the IUPAC name of 5-triethylsilylphenalene-1,3-dione?
The IUPAC name of 5-triethylsilylphenalene-1,3-dione (CID 134843965) is 5-triethylsilylphenalene-1,3-dione.
What is the SMILES notation for 5-triethylsilylphenalene-1,3-dione?
The canonical SMILES for 5-triethylsilylphenalene-1,3-dione is CC[Si](CC)(CC)c1cc2c3c(cccc3c1)C(=O)CC2=O.
What is the InChIKey of 5-triethylsilylphenalene-1,3-dione?
The InChIKey is JDBGLAIUSROEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-4-22(5-2,6-3)14-10-13-8-7-9-15-17(20)12-18(21)16(11-14)19(13)15/h7-11H,4-6,12H2,1-3H3.
What are the key properties of 5-triethylsilylphenalene-1,3-dione?
5-triethylsilylphenalene-1,3-dione has a molecular weight of 310.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-triethylsilylphenalene-1,3-dione is sourced from PubChem (CID 134843965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).