(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal

C15H26O2Si — CID 10778199

IUPAC(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal
SMILESC/C(C#CCO[Si](C)(C)C(C)(C)C)=C\CCC=O
InChIInChI=1S/C15H26O2Si/c1-14(10-7-8-12-16)11-9-13-17-18(5,6)15(2,3)4/h10,12H,7-8,13H2,1-6H3/b14-10+
InChIKeyTVFRWHVLUDZMTP-GXDHUFHOSA-N
MW266.46 g/mol
LogP3.94
Rot. Bonds5

About (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal

(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal (PubChem CID 10778199) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal.

Molecular Properties

Compound Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal
PubChem CID10778199
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal
SMILESC/C(C#CCO[Si](C)(C)C(C)(C)C)=C\CCC=O
InChIInChI=1S/C15H26O2Si/c1-14(10-7-8-12-16)11-9-13-17-18(5,6)15(2,3)4/h10,12H,7-8,13H2,1-6H3/b14-10+
InChIKeyTVFRWHVLUDZMTP-GXDHUFHOSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
CID 10466927
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
CID 24773156
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
CID 14377973
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
CID 14320967
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-chloro-4-fluorophenyl)but-2-yn-1-one
CID 69154380
tert-butyl-[(E)-4-fluoropent-3-enoxy]-dimethylsilane
CID 59072765
(E)-10-[tert-butyl(dimethyl)silyl]oxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yne-1,3-diol
CID 10745915
7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 74029317

Frequently Asked Questions

What is the IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal?
The IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal (CID 10778199) is (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal.
What is the SMILES notation for (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal?
The canonical SMILES for (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal is C/C(C#CCO[Si](C)(C)C(C)(C)C)=C\CCC=O.
What is the InChIKey of (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal?
The InChIKey is TVFRWHVLUDZMTP-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-14(10-7-8-12-16)11-9-13-17-18(5,6)15(2,3)4/h10,12H,7-8,13H2,1-6H3/b14-10+.
What are the key properties of (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal?
(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal has a molecular weight of 266.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal is sourced from PubChem (CID 10778199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).