(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one

C14H28O2Si — CID 89345062

IUPAC(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one
SMILESCCC(/C=C\C(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-13(10-9-12(2)15)11-16-17(6,7)14(3,4)5/h9-10,13H,8,11H2,1-7H3/b10-9-
InChIKeyUSVZCYJNUKVBOI-KTKRTIGZSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds6

About (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one

(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one (PubChem CID 89345062) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one.

Molecular Properties

Compound Name(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one
PubChem CID89345062
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one
SMILESCCC(/C=C\C(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-13(10-9-12(2)15)11-16-17(6,7)14(3,4)5/h9-10,13H,8,11H2,1-7H3/b10-9-
InChIKeyUSVZCYJNUKVBOI-KTKRTIGZSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one?
The IUPAC name of (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one (CID 89345062) is (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one.
What is the SMILES notation for (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one?
The canonical SMILES for (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one is CCC(/C=C\C(C)=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one?
The InChIKey is USVZCYJNUKVBOI-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-13(10-9-12(2)15)11-16-17(6,7)14(3,4)5/h9-10,13H,8,11H2,1-7H3/b10-9-.
What are the key properties of (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one?
(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one has a molecular weight of 256.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one is sourced from PubChem (CID 89345062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).