(Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one

C15H32O2Si2 — CID 101178875

IUPAC(Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
SMILESCC(=O)C/C(=C/C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si2/c1-13(16)12-14(10-11-18(5,6)7)17-19(8,9)15(2,3)4/h10H,11-12H2,1-9H3/b14-10-
InChIKeyPWZMMVUDKJVSMC-UVTDQMKNSA-N
MW300.59 g/mol
LogP5.21
Rot. Bonds6

About (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one (PubChem CID 101178875) has the molecular formula C15H32O2Si2 and a molecular weight of 300.59 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
PubChem CID101178875
Molecular FormulaC15H32O2Si2
Molecular Weight300.59 g/mol
Exact Mass300.19
IUPAC Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
SMILESCC(=O)C/C(=C/C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si2/c1-13(16)12-14(10-11-18(5,6)7)17-19(8,9)15(2,3)4/h10H,11-12H2,1-9H3/b14-10-
InChIKeyPWZMMVUDKJVSMC-UVTDQMKNSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.59
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Succinylacetone, TBDMS # 3
CID 91752657
3-[Tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-one
CID 70268330
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-trimethylsilylhept-5-en-3-one
CID 10892819
(E)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-6-en-4-one
CID 10947450
(E)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
CID 10990251

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one?
The IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one (CID 101178875) is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one.
What is the SMILES notation for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one?
The canonical SMILES for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one is CC(=O)C/C(=C/C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one?
The InChIKey is PWZMMVUDKJVSMC-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H32O2Si2/c1-13(16)12-14(10-11-18(5,6)7)17-19(8,9)15(2,3)4/h10H,11-12H2,1-9H3/b14-10-.
What are the key properties of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one?
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one has a molecular weight of 300.59 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one is sourced from PubChem (CID 101178875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).