3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one

C42H54O3Si4 — CID 157452555

IUPAC3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one
SMILESCC(C)(C)Oc1cc2c(c([Si](C)(C)C)c1[Si](C)(C)C)C(=O)c1ccccc1-2.C[Si](C)(C)C#CC#Cc1ccccc1C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C23H32O2Si2.C19H22OSi2/c1-23(2,3)25-18-14-17-15-12-10-11-13-16(15)20(24)19(17)22(27(7,8)9)21(18)26(4,5)6;1-21(2,3)15-10-9-12-17-11-7-8-13-18(17)19(20)14-16-22(4,5)6/h10-14H,1-9H3;7-8,11,13H,1-6H3
InChIKeyBSYVWNSPJBKLQY-UHFFFAOYSA-N
MW719.23 g/mol
LogP9.15
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one

3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one (PubChem CID 157452555) has the molecular formula C42H54O3Si4 and a molecular weight of 719.23 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one
PubChem CID157452555
Molecular FormulaC42H54O3Si4
Molecular Weight719.23 g/mol
Exact Mass718.32
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one
SMILESCC(C)(C)Oc1cc2c(c([Si](C)(C)C)c1[Si](C)(C)C)C(=O)c1ccccc1-2.C[Si](C)(C)C#CC#Cc1ccccc1C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C23H32O2Si2.C19H22OSi2/c1-23(2,3)25-18-14-17-15-12-10-11-13-16(15)20(24)19(17)22(27(7,8)9)21(18)26(4,5)6;1-21(2,3)15-10-9-12-17-11-7-8-13-18(17)19(20)14-16-22(4,5)6/h10-14H,1-9H3;7-8,11,13H,1-6H3
InChIKeyBSYVWNSPJBKLQY-UHFFFAOYSA-N
XLogP9.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.23
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one (CID 157452555) is 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one is CC(C)(C)Oc1cc2c(c([Si](C)(C)C)c1[Si](C)(C)C)C(=O)c1ccccc1-2.C[Si](C)(C)C#CC#Cc1ccccc1C(=O)C#C[Si](C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one?
The InChIKey is BSYVWNSPJBKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2Si2.C19H22OSi2/c1-23(2,3)25-18-14-17-15-12-10-11-13-16(15)20(24)19(17)22(27(7,8)9)21(18)26(4,5)6;1-21(2,3)15-10-9-12-17-11-7-8-13-18(17)19(20)14-16-22(4,5)6/h10-14H,1-9H3;7-8,11,13H,1-6H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one?
3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one has a molecular weight of 719.23 g/mol, XLogP of 9.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1,2-bis(trimethylsilyl)fluoren-9-one;3-trimethylsilyl-1-[2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]prop-2-yn-1-one is sourced from PubChem (CID 157452555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).