2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid

C14H28O3Si — CID 86587109

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-12-8-6-11(7-9-12)10-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyMJVAZHJLEAZRMJ-UHFFFAOYSA-N
MW272.46 g/mol
LogP4.04
Rot. Bonds4

About 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid

2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid (PubChem CID 86587109) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
PubChem CID86587109
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-12-8-6-11(7-9-12)10-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyMJVAZHJLEAZRMJ-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic 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

benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 160532130
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
methyl 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]-4-oxobutanoate
CID 87115542
[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid
CID 69470629
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 174057960
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid (CID 86587109) is 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid is CC(C)(C)[Si](C)(C)OC1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid?
The InChIKey is MJVAZHJLEAZRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-12-8-6-11(7-9-12)10-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid?
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid has a molecular weight of 272.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 86587109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).