4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid

C14H26O5Si — CID 175981383

IUPAC4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)(C(=O)O)CC1
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(4,5)19-10-6-8-14(9-7-10,11(15)16)12(17)18/h10H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyXTEBDNFAZCEADS-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.11
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid

4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid (PubChem CID 175981383) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
PubChem CID175981383
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)(C(=O)O)CC1
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(4,5)19-10-6-8-14(9-7-10,11(15)16)12(17)18/h10H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyXTEBDNFAZCEADS-UHFFFAOYSA-N
XLogP3.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
CID 141208174
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-[(2E)-2-hydroxyiminopropyl]cyclohexane-1-carboxylate
CID 154024065
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
CID 141358006

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid (CID 175981383) is 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid is CC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)(C(=O)O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid?
The InChIKey is XTEBDNFAZCEADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-13(2,3)20(4,5)19-10-6-8-14(9-7-10,11(15)16)12(17)18/h10H,6-9H2,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid has a molecular weight of 302.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid is sourced from PubChem (CID 175981383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).