(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal

C13H24O2Si — CID 11368462

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal
SMILESCC#CCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h11-12H,9-10H2,1-6H3/t12-/m0/s1
InChIKeyRPTGLXZRTHVKBW-LBPRGKRZSA-N
MW240.42 g/mol
LogP3.38
Rot. Bonds5

About (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal

(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal (PubChem CID 11368462) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal
PubChem CID11368462
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal
SMILESCC#CCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h11-12H,9-10H2,1-6H3/t12-/m0/s1
InChIKeyRPTGLXZRTHVKBW-LBPRGKRZSA-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
(t-Butyldimethylsilyloxy)butanal
CID 13988776
(2S)-2-[tert-butyl(dimethyl)silyl]oxybutanal
CID 45113362
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentanal
CID 87732766
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
CID 135011630
(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 76764178
(R)-t-butyldimethylsiloxybutyraldehyde
CID 11052702
(4S)-4-[tert-butyl(dimethyl)silyl]oxypentanal
CID 11736075
4-((tert-Butyldimethylsilyl)oxy)pentanal
CID 13494485
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58373563
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-ynal
CID 58373579
2-[Tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal (CID 11368462) is (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal is CC#CCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal?
The InChIKey is RPTGLXZRTHVKBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h11-12H,9-10H2,1-6H3/t12-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-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 (2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal is sourced from PubChem (CID 11368462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).