(2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one

C27H28O3Si — CID 59385601

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one
SMILESCOc1ccc(/C=C2\C(=O)CC(C)C2O[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H28O3Si/c1-20-18-26(28)25(19-21-14-16-22(29-2)17-15-21)27(20)30-31(3,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,19-20,27H,18H2,1-3H3/b25-19+
InChIKeyKEZARQKBIABBLI-NCELDCMTSA-N
MW428.60 g/mol
LogP4.46
Rot. Bonds6

About (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one

(2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one (PubChem CID 59385601) has the molecular formula C27H28O3Si and a molecular weight of 428.60 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one
PubChem CID59385601
Molecular FormulaC27H28O3Si
Molecular Weight428.60 g/mol
Exact Mass428.18
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one
SMILESCOc1ccc(/C=C2\C(=O)CC(C)C2O[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H28O3Si/c1-20-18-26(28)25(19-21-14-16-22(29-2)17-15-21)27(20)30-31(3,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,19-20,27H,18H2,1-3H3/b25-19+
InChIKeyKEZARQKBIABBLI-NCELDCMTSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one (CID 59385601) is (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one is COc1ccc(/C=C2\C(=O)CC(C)C2O[Si](C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
The InChIKey is KEZARQKBIABBLI-NCELDCMTSA-N. The full InChI is InChI=1S/C27H28O3Si/c1-20-18-26(28)25(19-21-14-16-22(29-2)17-15-21)27(20)30-31(3,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,19-20,27H,18H2,1-3H3/b25-19+.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
(2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one has a molecular weight of 428.60 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one is sourced from PubChem (CID 59385601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).