(5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one

C18H34O2Si — CID 102462625

IUPAC(5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one
SMILESCC(=O)CC/C(C)=C(\C/C=C(/C)O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-14(10-11-15(2)19)17(18(4,5)6)13-12-16(3)20-21(7,8)9/h12H,10-11,13H2,1-9H3/b16-12-,17-14+
InChIKeyDQVJOIPBQLZBCA-CCMYLADUSA-N
MW310.55 g/mol
LogP5.86
Rot. Bonds7

About (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one

(5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one (PubChem CID 102462625) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one.

Molecular Properties

Compound Name(5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one
PubChem CID102462625
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one
SMILESCC(=O)CC/C(C)=C(\C/C=C(/C)O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-14(10-11-15(2)19)17(18(4,5)6)13-12-16(3)20-21(7,8)9/h12H,10-11,13H2,1-9H3/b16-12-,17-14+
InChIKeyDQVJOIPBQLZBCA-CCMYLADUSA-N
XLogP5.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.86
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,3-Dimethylcyclopenten-1-yl)oxy-trimethylsilane;3-methylcyclopent-2-en-1-one
CID 160968704
(5Z,8Z)-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one
CID 102462624

Frequently Asked Questions

What is the IUPAC name of (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one?
The IUPAC name of (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one (CID 102462625) is (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one.
What is the SMILES notation for (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one?
The canonical SMILES for (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one is CC(=O)CC/C(C)=C(\C/C=C(/C)O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one?
The InChIKey is DQVJOIPBQLZBCA-CCMYLADUSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-14(10-11-15(2)19)17(18(4,5)6)13-12-16(3)20-21(7,8)9/h12H,10-11,13H2,1-9H3/b16-12-,17-14+.
What are the key properties of (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one?
(5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one has a molecular weight of 310.55 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8Z)-6-tert-butyl-5-methyl-9-trimethylsilyloxydeca-5,8-dien-2-one is sourced from PubChem (CID 102462625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).