2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol

C17H34O3Si — CID 59990282

IUPAC2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol
SMILESCCCCCC(O)C(=C[Si](C)(C)C)COC1CCCCO1
InChIInChI=1S/C17H34O3Si/c1-5-6-7-10-16(18)15(14-21(2,3)4)13-20-17-11-8-9-12-19-17/h14,16-18H,5-13H2,1-4H3
InChIKeyXCCLZFCXNVYHGV-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.27
Rot. Bonds9

About 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol

2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol (PubChem CID 59990282) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol
PubChem CID59990282
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol
SMILESCCCCCC(O)C(=C[Si](C)(C)C)COC1CCCCO1
InChIInChI=1S/C17H34O3Si/c1-5-6-7-10-16(18)15(14-21(2,3)4)13-20-17-11-8-9-12-19-17/h14,16-18H,5-13H2,1-4H3
InChIKeyXCCLZFCXNVYHGV-UHFFFAOYSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol?
The IUPAC name of 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol (CID 59990282) is 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol?
The canonical SMILES for 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol is CCCCCC(O)C(=C[Si](C)(C)C)COC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol?
The InChIKey is XCCLZFCXNVYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-5-6-7-10-16(18)15(14-21(2,3)4)13-20-17-11-8-9-12-19-17/h14,16-18H,5-13H2,1-4H3.
What are the key properties of 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol?
2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol has a molecular weight of 314.54 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol is sourced from PubChem (CID 59990282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).