(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal

C15H30O2Si — CID 134854809

IUPAC(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
SMILESC=CCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C=O
InChIInChI=1S/C15H30O2Si/c1-6-10-11-12-15(14(5)13-16)17-18(7-2,8-3)9-4/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m1/s1
InChIKeyZVYHQOAXTBVGLM-HUUCEWRRSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds11

About (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal

(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal (PubChem CID 134854809) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
PubChem CID134854809
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
SMILESC=CCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C=O
InChIInChI=1S/C15H30O2Si/c1-6-10-11-12-15(14(5)13-16)17-18(7-2,8-3)9-4/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m1/s1
InChIKeyZVYHQOAXTBVGLM-HUUCEWRRSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
CID 134992611
(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
CID 10968548
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(2S,3R)-2-methyl-3-triethylsilyloxyhex-5-enal
CID 135041296
(2R,3R,4R)-2,4-dimethyl-3-triethylsilyloxyhex-5-enal
CID 138979488
(1R)-1-[(1R,2R)-2-methylcyclopropyl]-1-triethylsilyloxyhex-5-en-3-one
CID 145945167
CID 145945194
CID 145945194
(3S)-3-[dimethyl(prop-2-enyl)silyl]oxy-3-[(1R,2R)-2-methylcyclopropyl]propanal
CID 145945196
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloct-7-en-2-one
CID 154718743

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal?
The IUPAC name of (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal (CID 134854809) is (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal.
What is the SMILES notation for (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal?
The canonical SMILES for (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal is C=CCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C=O.
What is the InChIKey of (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal?
The InChIKey is ZVYHQOAXTBVGLM-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-10-11-12-15(14(5)13-16)17-18(7-2,8-3)9-4/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m1/s1.
What are the key properties of (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal?
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal has a molecular weight of 270.49 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal is sourced from PubChem (CID 134854809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).