4-(triethylsilyloxymethyl)oct-1-yn-4-ol

C15H30O2Si — CID 20565062

IUPAC4-(triethylsilyloxymethyl)oct-1-yn-4-ol
SMILESC#CCC(O)(CCCC)CO[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-11-13-15(16,12-7-2)14-17-18(8-3,9-4)10-5/h2,16H,6,8-14H2,1,3-5H3
InChIKeyVCTCSULHBBHRMI-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.95
Rot. Bonds10

About 4-(triethylsilyloxymethyl)oct-1-yn-4-ol

4-(triethylsilyloxymethyl)oct-1-yn-4-ol (PubChem CID 20565062) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-(triethylsilyloxymethyl)oct-1-yn-4-ol.

Molecular Properties

Compound Name4-(triethylsilyloxymethyl)oct-1-yn-4-ol
PubChem CID20565062
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name4-(triethylsilyloxymethyl)oct-1-yn-4-ol
SMILESC#CCC(O)(CCCC)CO[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-11-13-15(16,12-7-2)14-17-18(8-3,9-4)10-5/h2,16H,6,8-14H2,1,3-5H3
InChIKeyVCTCSULHBBHRMI-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.95
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-(triethylsilyloxymethyl)oct-1-yn-4-ol?
The IUPAC name of 4-(triethylsilyloxymethyl)oct-1-yn-4-ol (CID 20565062) is 4-(triethylsilyloxymethyl)oct-1-yn-4-ol.
What is the SMILES notation for 4-(triethylsilyloxymethyl)oct-1-yn-4-ol?
The canonical SMILES for 4-(triethylsilyloxymethyl)oct-1-yn-4-ol is C#CCC(O)(CCCC)CO[Si](CC)(CC)CC.
What is the InChIKey of 4-(triethylsilyloxymethyl)oct-1-yn-4-ol?
The InChIKey is VCTCSULHBBHRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-11-13-15(16,12-7-2)14-17-18(8-3,9-4)10-5/h2,16H,6,8-14H2,1,3-5H3.
What are the key properties of 4-(triethylsilyloxymethyl)oct-1-yn-4-ol?
4-(triethylsilyloxymethyl)oct-1-yn-4-ol has a molecular weight of 270.49 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triethylsilyloxymethyl)oct-1-yn-4-ol is sourced from PubChem (CID 20565062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).