(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one

C19H38O2Si — CID 53344197

IUPAC(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one
SMILESCC(=O)/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-18(20)16-14-12-10-8-7-9-11-13-15-17-21-22(5,6)19(2,3)4/h14,16H,7-13,15,17H2,1-6H3/b16-14+
InChIKeyDJLDCNGCUHVQFG-JQIJEIRASA-N
MW326.60 g/mol
LogP6.27
Rot. Bonds12

About (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one

(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one (PubChem CID 53344197) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one.

Molecular Properties

Compound Name(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one
PubChem CID53344197
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one
SMILESCC(=O)/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-18(20)16-14-12-10-8-7-9-11-13-15-17-21-22(5,6)19(2,3)4/h14,16H,7-13,15,17H2,1-6H3/b16-14+
InChIKeyDJLDCNGCUHVQFG-JQIJEIRASA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.27
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

(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-3-en-2-one
CID 101860242
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one
CID 11380225
(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 12021523
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
CID 101265045
(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(E,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]dec-3-en-2-one
CID 134838203
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 134982277
(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one
CID 162400507
(E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyltetradec-4-en-3-one
CID 10474218
(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal
CID 11278400
(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-one
CID 21242292
tert-butyl-[(6Z)-cyclododec-6-en-1-yl]oxy-dimethylsilane
CID 22177366

Frequently Asked Questions

What is the IUPAC name of (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one?
The IUPAC name of (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one (CID 53344197) is (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one.
What is the SMILES notation for (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one?
The canonical SMILES for (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one is CC(=O)/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one?
The InChIKey is DJLDCNGCUHVQFG-JQIJEIRASA-N. The full InChI is InChI=1S/C19H38O2Si/c1-18(20)16-14-12-10-8-7-9-11-13-15-17-21-22(5,6)19(2,3)4/h14,16H,7-13,15,17H2,1-6H3/b16-14+.
What are the key properties of (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one?
(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one has a molecular weight of 326.60 g/mol, XLogP of 6.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one is sourced from PubChem (CID 53344197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).