6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid

C12H26O4Si — CID 101050777

IUPAC6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid
SMILESCC(C)(C)O[Si](C)(C)OCCCCCC(=O)O
InChIInChI=1S/C12H26O4Si/c1-12(2,3)16-17(4,5)15-10-8-6-7-9-11(13)14/h6-10H2,1-5H3,(H,13,14)
InChIKeyJJDXVYMDPMEQCF-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.16
Rot. Bonds8

About 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid

6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid (PubChem CID 101050777) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid
PubChem CID101050777
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid
SMILESCC(C)(C)O[Si](C)(C)OCCCCCC(=O)O
InChIInChI=1S/C12H26O4Si/c1-12(2,3)16-17(4,5)15-10-8-6-7-9-11(13)14/h6-10H2,1-5H3,(H,13,14)
InChIKeyJJDXVYMDPMEQCF-UHFFFAOYSA-N
XLogP3.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
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 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic 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

6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
6-[(Tert-butyldimethylsilyl)oxy]heptanoic acid
CID 132608059
Heptanoic acid, 7-t-butyldimethylsilyloxy-
CID 554796
Adipic acid, trimethylsilyl ester
CID 57264864
6-Tri(propan-2-yl)silyloxyhexanoic acid
CID 86087422
6-[Tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
CID 134916975
6-[Tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
5-[Dimethoxy-[(2-methylpropan-2-yl)oxy]silyl]pentanoic acid
CID 22385435
6-Triethoxysilylhexanoic acid
CID 85666552
6-Trimethoxysilylhexanoic acid
CID 87318823
4-Triethoxysilylhexanoic acid
CID 88314741
6-[Butyl(dimethyl)silyl]oxyhexanoic acid
CID 88690579

Frequently Asked Questions

What is the IUPAC name of 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid?
The IUPAC name of 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid (CID 101050777) is 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid.
What is the SMILES notation for 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid?
The canonical SMILES for 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid is CC(C)(C)O[Si](C)(C)OCCCCCC(=O)O.
What is the InChIKey of 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid?
The InChIKey is JJDXVYMDPMEQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-12(2,3)16-17(4,5)15-10-8-6-7-9-11(13)14/h6-10H2,1-5H3,(H,13,14).
What are the key properties of 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid?
6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid has a molecular weight of 262.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyhexanoic acid is sourced from PubChem (CID 101050777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).