2-[tert-butyl(dimethyl)silyl]oxypent-2-enal

C11H22O2Si — CID 150347977

IUPAC2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESCCC=C(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h8-9H,7H2,1-6H3
InChIKeyGTCVMFXUUMVSOE-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds4

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

2-[tert-butyl(dimethyl)silyl]oxypent-2-enal (PubChem CID 150347977) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
PubChem CID150347977
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
SMILESCCC=C(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h8-9H,7H2,1-6H3
InChIKeyGTCVMFXUUMVSOE-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
CID 175337315
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
CID 23067022
bis[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-2-methylbutanedioate
CID 91753821
dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
CID 11993936
N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide
CID 57353504
methyl (2Z,4E)-6-bromo-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 10925703
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal (CID 150347977) is 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal is CCC=C(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
The InChIKey is GTCVMFXUUMVSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h8-9H,7H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal?
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal has a molecular weight of 214.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxypent-2-enal is sourced from PubChem (CID 150347977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).