(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one

C17H34O2Si2 — CID 134939990

IUPAC(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one
SMILESC/C=C/C(=O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h10-11,13H,12,14H2,1-9H3/b11-10+,15-13-
InChIKeyDXAQSTZTXQKDSI-JXIMYUQQSA-N
MW326.63 g/mol
LogP5.77
Rot. Bonds7

About (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one

(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one (PubChem CID 134939990) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one.

Molecular Properties

Compound Name(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one
PubChem CID134939990
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one
SMILESC/C=C/C(=O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h10-11,13H,12,14H2,1-9H3/b11-10+,15-13-
InChIKeyDXAQSTZTXQKDSI-JXIMYUQQSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one?
The IUPAC name of (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one (CID 134939990) is (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one.
What is the SMILES notation for (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one?
The canonical SMILES for (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one is C/C=C/C(=O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one?
The InChIKey is DXAQSTZTXQKDSI-JXIMYUQQSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-10-11-16(18)12-15(14-20(5,6)7)13-19-21(8,9)17(2,3)4/h10-11,13H,12,14H2,1-9H3/b11-10+,15-13-.
What are the key properties of (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one?
(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one has a molecular weight of 326.63 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one is sourced from PubChem (CID 134939990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).