4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol

C14H30O3Si — CID 11097760

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)(CCO)CC1
InChIInChI=1S/C14H30O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(16,9-7-12)10-11-15/h12,15-16H,6-11H2,1-5H3
InChIKeyGJFPOOAHVQVNJF-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.06
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol (PubChem CID 11097760) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
PubChem CID11097760
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)(CCO)CC1
InChIInChI=1S/C14H30O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(16,9-7-12)10-11-15/h12,15-16H,6-11H2,1-5H3
InChIKeyGJFPOOAHVQVNJF-UHFFFAOYSA-N
XLogP3.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
CID 140956897
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
CID 141208174
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol
CID 10427395
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol (CID 11097760) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol is CC(C)(C)[Si](C)(C)OC1CCC(O)(CCO)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol?
The InChIKey is GJFPOOAHVQVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-13(2,3)18(4,5)17-12-6-8-14(16,9-7-12)10-11-15/h12,15-16H,6-11H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol has a molecular weight of 274.48 g/mol, XLogP of 3.06, 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]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 11097760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).