6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol

C13H28O2Si — CID 54411232

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
SMILESCC(CC=CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7-8,12,14H,9-11H2,1-6H3
InChIKeyVUHJLRYFMFGEHJ-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds6

About 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol

6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol (PubChem CID 54411232) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
PubChem CID54411232
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
SMILESCC(CC=CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7-8,12,14H,9-11H2,1-6H3
InChIKeyVUHJLRYFMFGEHJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol 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 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol (CID 54411232) is 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol is CC(CC=CCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
The InChIKey is VUHJLRYFMFGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7-8,12,14H,9-11H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol?
6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol is sourced from PubChem (CID 54411232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).