4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

C14H24O3Si — CID 59293785

IUPAC4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCC(C2OCCO2)CC1
InChIInChI=1S/C14H24O3Si/c1-18(2,3)11-8-14(15)6-4-12(5-7-14)13-16-9-10-17-13/h12-13,15H,4-7,9-10H2,1-3H3
InChIKeyGKZLWKRHLDALBU-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.16
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (PubChem CID 59293785) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
PubChem CID59293785
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCC(C2OCCO2)CC1
InChIInChI=1S/C14H24O3Si/c1-18(2,3)11-8-14(15)6-4-12(5-7-14)13-16-9-10-17-13/h12-13,15H,4-7,9-10H2,1-3H3
InChIKeyGKZLWKRHLDALBU-UHFFFAOYSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (CID 59293785) is 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is C[Si](C)(C)C#CC1(O)CCC(C2OCCO2)CC1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The InChIKey is GKZLWKRHLDALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-18(2,3)11-8-14(15)6-4-12(5-7-14)13-16-9-10-17-13/h12-13,15H,4-7,9-10H2,1-3H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 59293785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).