6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid

C14H28O3Si — CID 132520568

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H28O3Si/c1-7-12(13(15)16)10-8-9-11-17-18(5,6)14(2,3)4/h7,12H,1,8-11H2,2-6H3,(H,15,16)
InChIKeyMDRORGCWKYAELM-UHFFFAOYSA-N
MW272.46 g/mol
LogP4.07
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid

6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid (PubChem CID 132520568) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid
PubChem CID132520568
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C14H28O3Si/c1-7-12(13(15)16)10-8-9-11-17-18(5,6)14(2,3)4/h7,12H,1,8-11H2,2-6H3,(H,15,16)
InChIKeyMDRORGCWKYAELM-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
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 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid 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

methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate
CID 42636716
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid
CID 46188081
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
CID 51003300
methyl (2R)-2-ethenyl-6-hydroxyhexanoate
CID 134850557
2-Ethenyl-5-methylhexanoic acid
CID 88236252
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-6-enoic acid
CID 89948722
3-[Tert-butyl(dimethyl)silyl]oxy-2-methylhept-6-enoic acid
CID 123601416
2-(2-Trimethylsilylethynyl)hept-6-enoic acid
CID 101885321
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoic acid
CID 102162864
Methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate
CID 122369378

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid (CID 132520568) is 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid is C=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid?
The InChIKey is MDRORGCWKYAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-12(13(15)16)10-8-9-11-17-18(5,6)14(2,3)4/h7,12H,1,8-11H2,2-6H3,(H,15,16).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid?
6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid has a molecular weight of 272.46 g/mol, XLogP of 4.07, 8 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-2-ethenylhexanoic acid is sourced from PubChem (CID 132520568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).