2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal

C14H28O2Si2 — CID 58461604

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6/h12-13H,10H2,1-8H3
InChIKeyLYKGPRIUUSPHNN-UHFFFAOYSA-N
MW284.55 g/mol
LogP3.85
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal

2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal (PubChem CID 58461604) has the molecular formula C14H28O2Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
PubChem CID58461604
Molecular FormulaC14H28O2Si2
Molecular Weight284.55 g/mol
Exact Mass284.16
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6/h12-13H,10H2,1-8H3
InChIKeyLYKGPRIUUSPHNN-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 53.85
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
CID 11087733
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
(E,2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enal
CID 101448696
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 10565326
2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal
CID 87954580
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
tert-butyl-(1-cyclohexyloxy-7-trimethylsilylhepta-1,6-diyn-4-yl)oxy-dimethylsilane
CID 10905275

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal (CID 58461604) is 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal is CC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
The InChIKey is LYKGPRIUUSPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6/h12-13H,10H2,1-8H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal?
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal has a molecular weight of 284.55 g/mol, XLogP of 3.85, 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]oxy-5-trimethylsilylpent-4-ynal is sourced from PubChem (CID 58461604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).