6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one

C25H34OSi — CID 10937740

IUPAC6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one
SMILESC=C(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)CC(=O)CC
InChIInChI=1S/C25H34OSi/c1-7-22(26)18-20(2)21(3)19-27(25(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,20H,3,7,18-19H2,1-2,4-6H3
InChIKeyZJRMEYHUCOTKGN-UHFFFAOYSA-N
MW378.63 g/mol
LogP5.61
Rot. Bonds8

About 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one

6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one (PubChem CID 10937740) has the molecular formula C25H34OSi and a molecular weight of 378.63 g/mol. Its IUPAC name is 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one.

Molecular Properties

Compound Name6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one
PubChem CID10937740
Molecular FormulaC25H34OSi
Molecular Weight378.63 g/mol
Exact Mass378.24
IUPAC Name6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one
SMILESC=C(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)CC(=O)CC
InChIInChI=1S/C25H34OSi/c1-7-22(26)18-20(2)21(3)19-27(25(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,20H,3,7,18-19H2,1-2,4-6H3
InChIKeyZJRMEYHUCOTKGN-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Diphenyl-2-butanone
CID 79421
3-Pentanone, 2,4-dibenzyl-
CID 134446
(4E,7E)-4,6-dimethyl-8-phenylocta-4,7-dien-2-one
CID 46938551
1,1-Diphenyl-3-pentanone
CID 4189914
(4S,6E,8E)-4-methyl-9-phenylnona-6,8-dien-3-one
CID 102318873
1-[(1R,6R)-4-(4-methylpent-3-enyl)-6-(2-phenylethyl)cyclohex-3-en-1-yl]-3-phenylpropan-1-one
CID 124527033
(4E,6S,7E)-4,6-dimethyl-8-phenylocta-4,7-dien-2-one
CID 163187077
6,8-Diphenyltridecan-7-one
CID 11089436
(E)-4,6-diphenylhex-5-en-2-one
CID 21589916
1,5-Diphenyl-2-methyl-3-pentanone
CID 3044258
(2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one
CID 72723159
(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
CID 135060755

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one?
The IUPAC name of 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one (CID 10937740) is 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one.
What is the SMILES notation for 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one?
The canonical SMILES for 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one is C=C(C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)CC(=O)CC.
What is the InChIKey of 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one?
The InChIKey is ZJRMEYHUCOTKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34OSi/c1-7-22(26)18-20(2)21(3)19-27(25(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,20H,3,7,18-19H2,1-2,4-6H3.
What are the key properties of 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one?
6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one has a molecular weight of 378.63 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one is sourced from PubChem (CID 10937740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).