1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one

C14H28O2Si — CID 101039409

IUPAC1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one
SMILESC=CCCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-9-10-13(15)11-12-16-17(5,6)14(2,3)4/h7H,1,8-12H2,2-6H3
InChIKeyXPVXXKYQSHCCJY-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds8

About 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one

1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one (PubChem CID 101039409) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one
PubChem CID101039409
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one
SMILESC=CCCCC(=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-9-10-13(15)11-12-16-17(5,6)14(2,3)4/h7H,1,8-12H2,2-6H3
InChIKeyXPVXXKYQSHCCJY-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one with MolForge

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

Launch Full Analysis

Related Compounds

9-Tri(propan-2-yl)silyloxynon-1-en-5-one
CID 91062407
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-one
CID 135039795
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-7-en-2-one
CID 162068504
1-[Tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
CID 168962230
4-[Tert-butyl(dimethyl)silyl]oxyoct-7-en-2-one
CID 10377729
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one
CID 101028666
(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-2-one
CID 101882211

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one (CID 101039409) is 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one is C=CCCCC(=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one?
The InChIKey is XPVXXKYQSHCCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-8-9-10-13(15)11-12-16-17(5,6)14(2,3)4/h7H,1,8-12H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one?
1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one has a molecular weight of 256.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyoct-7-en-3-one is sourced from PubChem (CID 101039409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).