4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol

C12H26O2Si — CID 554539

IUPAC4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)CC1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h10-11,13H,6-9H2,1-5H3
InChIKeyXGCCUZRKNCUVJK-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.31
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol

4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol (PubChem CID 554539) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
PubChem CID554539
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)CC1
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h10-11,13H,6-9H2,1-5H3
InChIKeyXGCCUZRKNCUVJK-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol (CID 554539) is 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol is CC(C)(C)[Si](C)(C)OC1CCC(O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
The InChIKey is XGCCUZRKNCUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol is sourced from PubChem (CID 554539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).