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

C14H26O2Si — CID 59293774

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol
SMILESC#CC1(O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C14H26O2Si/c1-7-14(15)10-8-12(9-11-14)16-17(5,6)13(2,3)4/h1,12,15H,8-11H2,2-6H3
InChIKeyGCQVEZXWTOZKOB-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.32
Rot. Bonds2

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

4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol (PubChem CID 59293774) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol
PubChem CID59293774
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol
SMILESC#CC1(O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C14H26O2Si/c1-7-14(15)10-8-12(9-11-14)16-17(5,6)13(2,3)4/h1,12,15H,8-11H2,2-6H3
InChIKeyGCQVEZXWTOZKOB-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.32
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-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol (CID 59293774) is 4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol is C#CC1(O)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol?
The InChIKey is GCQVEZXWTOZKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-14(15)10-8-12(9-11-14)16-17(5,6)13(2,3)4/h1,12,15H,8-11H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclohexan-1-ol has a molecular weight of 254.45 g/mol, XLogP of 3.32, 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]oxy-1-ethynylcyclohexan-1-ol is sourced from PubChem (CID 59293774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).