acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol

C14H32O4Si — CID 71376160

IUPACacetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
SMILESCC(=O)O.CC(C)(C)[Si](C)(C)OCCCCCCO
InChIInChI=1S/C12H28O2Si.C2H4O2/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;1-2(3)4/h13H,6-11H2,1-5H3;1H3,(H,3,4)
InChIKeyVXFGPCKUUPTAFY-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.65
Rot. Bonds7

About acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol

acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol (PubChem CID 71376160) has the molecular formula C14H32O4Si and a molecular weight of 292.49 g/mol. Its IUPAC name is acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol.

Molecular Properties

Compound Nameacetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
PubChem CID71376160
Molecular FormulaC14H32O4Si
Molecular Weight292.49 g/mol
Exact Mass292.21
IUPAC Nameacetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
SMILESCC(=O)O.CC(C)(C)[Si](C)(C)OCCCCCCO
InChIInChI=1S/C12H28O2Si.C2H4O2/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;1-2(3)4/h13H,6-11H2,1-5H3;1H3,(H,3,4)
InChIKeyVXFGPCKUUPTAFY-UHFFFAOYSA-N
XLogP3.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-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

Related Compounds

22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid
CID 123934980
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
The IUPAC name of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol (CID 71376160) is acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol.
What is the SMILES notation for acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
The canonical SMILES for acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol is CC(=O)O.CC(C)(C)[Si](C)(C)OCCCCCCO.
What is the InChIKey of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
The InChIKey is VXFGPCKUUPTAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si.C2H4O2/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13;1-2(3)4/h13H,6-11H2,1-5H3;1H3,(H,3,4).
What are the key properties of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol has a molecular weight of 292.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol is sourced from PubChem (CID 71376160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).