7-triethylsilyloxycyclododecan-1-ol

C18H38O2Si — CID 67068092

IUPAC7-triethylsilyloxycyclododecan-1-ol
SMILESCC[Si](CC)(CC)OC1CCCCCC(O)CCCCC1
InChIInChI=1S/C18H38O2Si/c1-4-21(5-2,6-3)20-18-15-11-7-9-13-17(19)14-10-8-12-16-18/h17-19H,4-16H2,1-3H3
InChIKeyBCOCSSIJNXMVRG-UHFFFAOYSA-N
MW314.59 g/mol
LogP5.65
Rot. Bonds5

About 7-triethylsilyloxycyclododecan-1-ol

7-triethylsilyloxycyclododecan-1-ol (PubChem CID 67068092) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is 7-triethylsilyloxycyclododecan-1-ol.

Molecular Properties

Compound Name7-triethylsilyloxycyclododecan-1-ol
PubChem CID67068092
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name7-triethylsilyloxycyclododecan-1-ol
SMILESCC[Si](CC)(CC)OC1CCCCCC(O)CCCCC1
InChIInChI=1S/C18H38O2Si/c1-4-21(5-2,6-3)20-18-15-11-7-9-13-17(19)14-10-8-12-16-18/h17-19H,4-16H2,1-3H3
InChIKeyBCOCSSIJNXMVRG-UHFFFAOYSA-N
XLogP5.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.65
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 7-triethylsilyloxycyclododecan-1-ol?
The IUPAC name of 7-triethylsilyloxycyclododecan-1-ol (CID 67068092) is 7-triethylsilyloxycyclododecan-1-ol.
What is the SMILES notation for 7-triethylsilyloxycyclododecan-1-ol?
The canonical SMILES for 7-triethylsilyloxycyclododecan-1-ol is CC[Si](CC)(CC)OC1CCCCCC(O)CCCCC1.
What is the InChIKey of 7-triethylsilyloxycyclododecan-1-ol?
The InChIKey is BCOCSSIJNXMVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-4-21(5-2,6-3)20-18-15-11-7-9-13-17(19)14-10-8-12-16-18/h17-19H,4-16H2,1-3H3.
What are the key properties of 7-triethylsilyloxycyclododecan-1-ol?
7-triethylsilyloxycyclododecan-1-ol has a molecular weight of 314.59 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triethylsilyloxycyclododecan-1-ol is sourced from PubChem (CID 67068092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).