7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal

C13H24O2Si — CID 11770577

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CC=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h11H,6,8,10,12H2,1-5H3
InChIKeyRIRCANNBORWVMG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.38
Rot. Bonds5

About 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal

7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal (PubChem CID 11770577) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal
PubChem CID11770577
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CC=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h11H,6,8,10,12H2,1-5H3
InChIKeyRIRCANNBORWVMG-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.38
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

4-[(Tert-butyldimethylsilyl)oxy]but-2-ynal
CID 11745632
5-((Tert-butyldimethylsilyl)oxy)pent-2-ynal
CID 14591859
4-((Tert-butyldimethylsilyl)oxy)-4-methylpent-2-ynal
CID 10889620
2-Hexynal, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10987965
4-Tri(propan-2-yl)silyloxybut-2-ynal
CID 15525577
Tert-butyl-hept-5-ynoxy-dimethylsilane
CID 10609316
4-[Tert-butyl(dimethyl)silyl]oxypent-2-ynal
CID 18936558
5-(tert-Butyldimethylsilyloxy)-2-hexynal
CID 24763667
3-[Tert-butyl(dimethyl)silyl]oxyprop-2-ynal
CID 87263832
4-[Tert-butyl(dimethyl)silyl]-4-methylpent-2-ynedial
CID 88329882
(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
CID 10492162
(4R)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
CID 10587999

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal (CID 11770577) is 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal is CC(C)(C)[Si](C)(C)OCCCCC#CC=O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal?
The InChIKey is RIRCANNBORWVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h11H,6,8,10,12H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal?
7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal has a molecular weight of 240.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynal is sourced from PubChem (CID 11770577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).