(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one

C15H30O2Si — CID 10945532

IUPAC(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one
SMILESC/C=C/[C@H](C)[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-10-12(2)14(11-13(3)16)17-18(7,8)15(4,5)6/h9-10,12,14H,11H2,1-8H3/b10-9+/t12-,14+/m0/s1
InChIKeyMDASGUHOMLTDRA-JMRXXTBOSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds6

About (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one

(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one (PubChem CID 10945532) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one.

Molecular Properties

Compound Name(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one
PubChem CID10945532
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one
SMILESC/C=C/[C@H](C)[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-10-12(2)14(11-13(3)16)17-18(7,8)15(4,5)6/h9-10,12,14H,11H2,1-8H3/b10-9+/t12-,14+/m0/s1
InChIKeyMDASGUHOMLTDRA-JMRXXTBOSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': '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 (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one?
The IUPAC name of (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one (CID 10945532) is (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one.
What is the SMILES notation for (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one?
The canonical SMILES for (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one is C/C=C/[C@H](C)[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one?
The InChIKey is MDASGUHOMLTDRA-JMRXXTBOSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-10-12(2)14(11-13(3)16)17-18(7,8)15(4,5)6/h9-10,12,14H,11H2,1-8H3/b10-9+/t12-,14+/m0/s1.
What are the key properties of (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one?
(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one has a molecular weight of 270.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-en-2-one is sourced from PubChem (CID 10945532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).