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

C14H26O2Si — CID 69044065

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC#CC1CCC(O)CC1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-11-10-12-6-8-13(15)9-7-12/h12-13,15H,6-9H2,1-5H3
InChIKeyGXKIIZWCBBWCFX-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.52
Rot. Bonds1

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

4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol (PubChem CID 69044065) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol
PubChem CID69044065
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC#CC1CCC(O)CC1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-11-10-12-6-8-13(15)9-7-12/h12-13,15H,6-9H2,1-5H3
InChIKeyGXKIIZWCBBWCFX-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol (CID 69044065) is 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol is CC(C)(C)[Si](C)(C)OC#CC1CCC(O)CC1.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol?
The InChIKey is GXKIIZWCBBWCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-11-10-12-6-8-13(15)9-7-12/h12-13,15H,6-9H2,1-5H3.
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol?
4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol has a molecular weight of 254.45 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol is sourced from PubChem (CID 69044065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).