(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal

C16H30O2Si — CID 101383745

IUPAC(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal
SMILESC=CC[C@@H](CC(=C)C(C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-10-15(11-13(2)14(3)12-17)18-19(7,8)16(4,5)6/h9,12,14-15H,1-2,10-11H2,3-8H3/t14?,15-/m0/s1
InChIKeyZDSBTIMROJQWOO-LOACHALJSA-N
MW282.50 g/mol
LogP4.73
Rot. Bonds8

About (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal

(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal (PubChem CID 101383745) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal.

Molecular Properties

Compound Name(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal
PubChem CID101383745
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal
SMILESC=CC[C@@H](CC(=C)C(C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-10-15(11-13(2)14(3)12-17)18-19(7,8)16(4,5)6/h9,12,14-15H,1-2,10-11H2,3-8H3/t14?,15-/m0/s1
InChIKeyZDSBTIMROJQWOO-LOACHALJSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.73
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal?
The IUPAC name of (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal (CID 101383745) is (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal.
What is the SMILES notation for (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal?
The canonical SMILES for (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal is C=CC[C@@H](CC(=C)C(C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal?
The InChIKey is ZDSBTIMROJQWOO-LOACHALJSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-10-15(11-13(2)14(3)12-17)18-19(7,8)16(4,5)6/h9,12,14-15H,1-2,10-11H2,3-8H3/t14?,15-/m0/s1.
What are the key properties of (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal?
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal has a molecular weight of 282.50 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal is sourced from PubChem (CID 101383745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).