(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one

C17H32O2Si — CID 88872174

IUPAC(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one
SMILESCC(=O)/C=C/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-15(12-13-16(2)18)11-9-8-10-14-19-20(6,7)17(3,4)5/h11-13H,8-10,14H2,1-7H3/b13-12+,15-11+
InChIKeyVBCWJUSRBZWXGD-GLZRVVIGSA-N
MW296.53 g/mol
LogP5.27
Rot. Bonds8

About (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one

(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one (PubChem CID 88872174) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one
PubChem CID88872174
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one
SMILESCC(=O)/C=C/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-15(12-13-16(2)18)11-9-8-10-14-19-20(6,7)17(3,4)5/h11-13H,8-10,14H2,1-7H3/b13-12+,15-11+
InChIKeyVBCWJUSRBZWXGD-GLZRVVIGSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.27
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-3-en-2-one
CID 101860242
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one
CID 13067722
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(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
(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
CID 102109295
(1Z,5E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hepta-1,5-dien-4-one
CID 134939990
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 134982277
[4-[4-[Tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 135030013
(E)-8-tri(propan-2-yl)silyloxyoct-3-en-2-one
CID 162400507
(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one
CID 162401339
4-(2-((Tert-butyldimethylsilyl)oxy)ethyl)-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
CID 162786790

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one?
The IUPAC name of (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one (CID 88872174) is (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one is CC(=O)/C=C/C(C)=C/CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one?
The InChIKey is VBCWJUSRBZWXGD-GLZRVVIGSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-15(12-13-16(2)18)11-9-8-10-14-19-20(6,7)17(3,4)5/h11-13H,8-10,14H2,1-7H3/b13-12+,15-11+.
What are the key properties of (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one?
(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one has a molecular weight of 296.53 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one is sourced from PubChem (CID 88872174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).