(4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one

C17H26OSi — CID 12576179

IUPAC(4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one
SMILESCCCC/C(=C/[Si](C)(C)c1ccccc1)C(=O)CC
InChIInChI=1S/C17H26OSi/c1-5-7-11-15(17(18)6-2)14-19(3,4)16-12-9-8-10-13-16/h8-10,12-14H,5-7,11H2,1-4H3/b15-14-
InChIKeyAHXZXGZAQROENO-PFONDFGASA-N
MW274.48 g/mol
LogP4.24
Rot. Bonds7

About (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one

(4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one (PubChem CID 12576179) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one.

Molecular Properties

Compound Name(4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one
PubChem CID12576179
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name(4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one
SMILESCCCC/C(=C/[Si](C)(C)c1ccccc1)C(=O)CC
InChIInChI=1S/C17H26OSi/c1-5-7-11-15(17(18)6-2)14-19(3,4)16-12-9-8-10-13-16/h8-10,12-14H,5-7,11H2,1-4H3/b15-14-
InChIKeyAHXZXGZAQROENO-PFONDFGASA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one?
The IUPAC name of (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one (CID 12576179) is (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one.
What is the SMILES notation for (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one?
The canonical SMILES for (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one is CCCC/C(=C/[Si](C)(C)c1ccccc1)C(=O)CC.
What is the InChIKey of (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one?
The InChIKey is AHXZXGZAQROENO-PFONDFGASA-N. The full InChI is InChI=1S/C17H26OSi/c1-5-7-11-15(17(18)6-2)14-19(3,4)16-12-9-8-10-13-16/h8-10,12-14H,5-7,11H2,1-4H3/b15-14-.
What are the key properties of (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one?
(4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one has a molecular weight of 274.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[dimethyl(phenyl)silyl]methylidene]octan-3-one is sourced from PubChem (CID 12576179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).