(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one

C15H28O2Si — CID 134897761

IUPAC(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one
SMILESCC(=O)/C=C/C=C(\C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(10-9-11-13(2)16)14(3)17-18(7,8)15(4,5)6/h9-11,14H,1-8H3/b11-9+,12-10+
InChIKeyQDPAOPOASJTYIP-WGDLNXRISA-N
MW268.47 g/mol
LogP4.49
Rot. Bonds5

About (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one

(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one (PubChem CID 134897761) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one
PubChem CID134897761
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one
SMILESCC(=O)/C=C/C=C(\C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(10-9-11-13(2)16)14(3)17-18(7,8)15(4,5)6/h9-11,14H,1-8H3/b11-9+,12-10+
InChIKeyQDPAOPOASJTYIP-WGDLNXRISA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.49
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

(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one
CID 24745033
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,4-dienal
CID 44254364
(6S,3E)-6-(Triethylsilyloxy)-3,7-octadien-2-one
CID 56946991
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
CID 102109295
(4s)-(z)-4-(Triisopropylsilyl-oxy)pent-2-enal
CID 129826283
tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
CID 134993571
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
CID 135080098
(2E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal
CID 146163181
(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

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one?
The IUPAC name of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one (CID 134897761) is (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one is CC(=O)/C=C/C=C(\C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one?
The InChIKey is QDPAOPOASJTYIP-WGDLNXRISA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(10-9-11-13(2)16)14(3)17-18(7,8)15(4,5)6/h9-11,14H,1-8H3/b11-9+,12-10+.
What are the key properties of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one?
(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one has a molecular weight of 268.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one is sourced from PubChem (CID 134897761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).