4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal

C14H28O2Si — CID 71343055

IUPAC4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
SMILESCCCCC(C=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-10-13(11-9-12-15)16-17(5,6)14(2,3)4/h9,11-13H,7-8,10H2,1-6H3
InChIKeyXOXHVXOUZQMQMQ-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal

4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal (PubChem CID 71343055) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
PubChem CID71343055
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
SMILESCCCCC(C=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-10-13(11-9-12-15)16-17(5,6)14(2,3)4/h9,11-13H,7-8,10H2,1-6H3
InChIKeyXOXHVXOUZQMQMQ-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
tert-butyl-dimethyl-[(7E,9Z)-12-trimethylsilyldodeca-7,9-dien-11-yn-6-yl]oxysilane
CID 11024906
tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane
CID 141158621
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-amine
CID 11365820
(2E,4E,6E)-8-methoxydodeca-2,4,6-trienal
CID 15755836
11-[tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
CID 173373978
2-[(1S,4R,5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-4-hydroxycyclopent-2-en-1-yl]acetaldehyde
CID 11210810
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
CID 15632282

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal (CID 71343055) is 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal is CCCCC(C=CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal?
The InChIKey is XOXHVXOUZQMQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-8-10-13(11-9-12-15)16-17(5,6)14(2,3)4/h9,11-13H,7-8,10H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal?
4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal has a molecular weight of 256.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal is sourced from PubChem (CID 71343055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).