cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one

C23H32OSi2 — CID 11058016

IUPACcis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one
SMILESCc1ccc([Si](C)(C)[C@@H]2CC(=O)C[C@@H]2[Si](C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32OSi2/c1-17-7-11-20(12-8-17)25(3,4)22-15-19(24)16-23(22)26(5,6)21-13-9-18(2)10-14-21/h7-14,22-23H,15-16H2,1-6H3/t22-,23+
InChIKeyBONULIUBHYQLKJ-ZRZAMGCNSA-N
MW380.68 g/mol
LogP4.94
Rot. Bonds4

About cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one

cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one (PubChem CID 11058016) has the molecular formula C23H32OSi2 and a molecular weight of 380.68 g/mol. Its IUPAC name is cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one.

Molecular Properties

Compound Namecis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one
PubChem CID11058016
Molecular FormulaC23H32OSi2
Molecular Weight380.68 g/mol
Exact Mass380.20
IUPAC Namecis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one
SMILESCc1ccc([Si](C)(C)[C@@H]2CC(=O)C[C@@H]2[Si](C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32OSi2/c1-17-7-11-20(12-8-17)25(3,4)22-15-19(24)16-23(22)26(5,6)21-13-9-18(2)10-14-21/h7-14,22-23H,15-16H2,1-6H3/t22-,23+
InChIKeyBONULIUBHYQLKJ-ZRZAMGCNSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dibenzylidenecyclopentanone
CID 5377539
2,5-Bis-(4-methyl-benzylidene)-cyclopentanone
CID 5291033
Cyclopentanone, 2,5-bis[3-phenyl-2-propen-1-ylidene]-
CID 5714142
Cyclopentanone, 2,5-dibenzylidene-
CID 6436781
2,5-Dibenzylidenecyclopentan-1-one
CID 98039
2-Benzhydrylidenecyclopentan-1-one
CID 12204851
(2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one
CID 72723159
(2Z)-3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 72723164
3-[Dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 154720498
3-[Dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one
CID 154720997
2-Butanone, 4-(dimethylphenylsilyl)-4-phenyl-
CID 584559
5-[Tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one
CID 10066505

Frequently Asked Questions

What is the IUPAC name of cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one?
The IUPAC name of cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one (CID 11058016) is cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one.
What is the SMILES notation for cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one?
The canonical SMILES for cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one is Cc1ccc([Si](C)(C)[C@@H]2CC(=O)C[C@@H]2[Si](C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one?
The InChIKey is BONULIUBHYQLKJ-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H32OSi2/c1-17-7-11-20(12-8-17)25(3,4)22-15-19(24)16-23(22)26(5,6)21-13-9-18(2)10-14-21/h7-14,22-23H,15-16H2,1-6H3/t22-,23+.
What are the key properties of cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one?
cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one has a molecular weight of 380.68 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one is sourced from PubChem (CID 11058016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).