7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one

C13H26O2Si — CID 11128489

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-12(14)10-8-9-11-15-16(5,6)13(2,3)4/h7H,1,8-11H2,2-6H3
InChIKeyMEEPUORNKUULHH-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds7

About 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one

7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one (PubChem CID 11128489) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
PubChem CID11128489
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-12(14)10-8-9-11-15-16(5,6)13(2,3)4/h7H,1,8-11H2,2-6H3
InChIKeyMEEPUORNKUULHH-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hex-1-en-3-one
CID 14891413
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-one
CID 135039795
6-[Diethoxy(methyl)silyl]hex-1-en-3-one
CID 17987009
6-[Ethoxy(diethyl)silyl]hex-1-ene-3,4-dione
CID 56994463
7-Diethoxysilylhept-1-en-3-one
CID 123308909
6-[Ethoxy(dimethyl)silyl]hex-1-en-3-one
CID 139724565
6-[Tert-butyl(dimethyl)silyl]oxy-2-methylhex-1-en-3-one
CID 140745218
6-Triethoxysilylhept-1-ene-3,4-dione
CID 141307920
6-[Diethoxy(methyl)silyl]hept-1-ene-3,4-dione
CID 141307925
7-[Dimethoxy(methyl)silyl]oxyhept-1-ene-3,4-dione
CID 141628821
7-(Methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one
CID 150115965
7-[Dimethoxy(propyl)silyl]oxyhept-1-en-3-one
CID 150165835

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one (CID 11128489) is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one is C=CC(=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one?
The InChIKey is MEEPUORNKUULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-12(14)10-8-9-11-15-16(5,6)13(2,3)4/h7H,1,8-11H2,2-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one?
7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one has a molecular weight of 242.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one is sourced from PubChem (CID 11128489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).