(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one

C17H32O2Si — CID 102109295

IUPAC(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
SMILESCC(=O)/C=C/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-16(7)10-9-11-17(8)18/h9-11,13-15H,12H2,1-8H3/b11-9+,16-10+
InChIKeyKYWVIYQFNCJQCV-VZNDOJKJSA-N
MW296.53 g/mol
LogP5.27
Rot. Bonds8

About (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one

(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one (PubChem CID 102109295) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
PubChem CID102109295
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
SMILESCC(=O)/C=C/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-16(7)10-9-11-17(8)18/h9-11,13-15H,12H2,1-8H3/b11-9+,16-10+
InChIKeyKYWVIYQFNCJQCV-VZNDOJKJSA-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': '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

(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal
CID 11575596
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,4-dienal
CID 44254364
(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one
CID 134897761
[4-[4-[Tert-butyl(dimethyl)silyl]oxybutylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 135030013
(4E,6E)-7-methyl-8-tri(propan-2-yl)silyloxyocta-4,6-dien-3-one
CID 176436002
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
CID 10987642
5-Trimethylsilyloxypent-3-en-2-one
CID 54462141
(E)-5-tri(propan-2-yl)silyloxypent-3-en-2-one
CID 58510363
(3E,5E)-10-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-3,5-dien-2-one
CID 88872174
(Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one
CID 140753656
(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one
CID 141365281
(2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal
CID 10689908

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one?
The IUPAC name of (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one (CID 102109295) is (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one is CC(=O)/C=C/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one?
The InChIKey is KYWVIYQFNCJQCV-VZNDOJKJSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-16(7)10-9-11-17(8)18/h9-11,13-15H,12H2,1-8H3/b11-9+,16-10+.
What are the key properties of (3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one?
(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-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)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one is sourced from PubChem (CID 102109295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).