(Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one

C15H30O2Si — CID 58460704

IUPAC(Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one
SMILESCC(=O)CC/C=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(10-8-9-11-14(2)16)12-17-18(6,7)15(3,4)5/h8,10,13H,9,11-12H2,1-7H3/b10-8-/t13-/m1/s1
InChIKeyIGINLSCOXYMDNH-CHOZFAJLSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds7

About (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one

(Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one (PubChem CID 58460704) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one.

Molecular Properties

Compound Name(Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one
PubChem CID58460704
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one
SMILESCC(=O)CC/C=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(10-8-9-11-14(2)16)12-17-18(6,7)15(3,4)5/h8,10,13H,9,11-12H2,1-7H3/b10-8-/t13-/m1/s1
InChIKeyIGINLSCOXYMDNH-CHOZFAJLSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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 (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one?
The IUPAC name of (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one (CID 58460704) is (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one.
What is the SMILES notation for (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one?
The canonical SMILES for (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one is CC(=O)CC/C=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one?
The InChIKey is IGINLSCOXYMDNH-CHOZFAJLSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-13(10-8-9-11-14(2)16)12-17-18(6,7)15(3,4)5/h8,10,13H,9,11-12H2,1-7H3/b10-8-/t13-/m1/s1.
What are the key properties of (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one?
(Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one has a molecular weight of 270.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-en-2-one is sourced from PubChem (CID 58460704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).