[(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane

C23H40OSi2 — CID 139038261

IUPAC[(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane
SMILESC/C(=C1/C[Si](C(C)(C)C)(C(C)(C)C)O[C@@]1(C)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H40OSi2/c1-18(25(9,10)11)20-17-26(21(2,3)4,22(5,6)7)24-23(20,8)19-15-13-12-14-16-19/h12-16H,17H2,1-11H3/b20-18+/t23-/m0/s1
InChIKeyWOLQLVVRFGFYNO-TVNSMHFRSA-N
MW388.74 g/mol
LogP7.67
Rot. Bonds2

About [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane

[(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane (PubChem CID 139038261) has the molecular formula C23H40OSi2 and a molecular weight of 388.74 g/mol. Its IUPAC name is [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane
PubChem CID139038261
Molecular FormulaC23H40OSi2
Molecular Weight388.74 g/mol
Exact Mass388.26
IUPAC Name[(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane
SMILESC/C(=C1/C[Si](C(C)(C)C)(C(C)(C)C)O[C@@]1(C)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H40OSi2/c1-18(25(9,10)11)20-17-26(21(2,3)4,22(5,6)7)24-23(20,8)19-15-13-12-14-16-19/h12-16H,17H2,1-11H3/b20-18+/t23-/m0/s1
InChIKeyWOLQLVVRFGFYNO-TVNSMHFRSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane?
The IUPAC name of [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane (CID 139038261) is [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane.
What is the SMILES notation for [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane?
The canonical SMILES for [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane is C/C(=C1/C[Si](C(C)(C)C)(C(C)(C)C)O[C@@]1(C)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane?
The InChIKey is WOLQLVVRFGFYNO-TVNSMHFRSA-N. The full InChI is InChI=1S/C23H40OSi2/c1-18(25(9,10)11)20-17-26(21(2,3)4,22(5,6)7)24-23(20,8)19-15-13-12-14-16-19/h12-16H,17H2,1-11H3/b20-18+/t23-/m0/s1.
What are the key properties of [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane?
[(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane has a molecular weight of 388.74 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane is sourced from PubChem (CID 139038261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).