6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol

C15H28O2Si — CID 135049477

IUPAC6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol
SMILESCC(CCC#CC(O)[Si](C)(C)C)C1CCCCO1
InChIInChI=1S/C15H28O2Si/c1-13(14-10-7-8-12-17-14)9-5-6-11-15(16)18(2,3)4/h13-16H,5,7-10,12H2,1-4H3
InChIKeyDGXOWSYBPSNXLW-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.21
Rot. Bonds4

About 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol

6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol (PubChem CID 135049477) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol.

Molecular Properties

Compound Name6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol
PubChem CID135049477
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol
SMILESCC(CCC#CC(O)[Si](C)(C)C)C1CCCCO1
InChIInChI=1S/C15H28O2Si/c1-13(14-10-7-8-12-17-14)9-5-6-11-15(16)18(2,3)4/h13-16H,5,7-10,12H2,1-4H3
InChIKeyDGXOWSYBPSNXLW-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.21
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'}

Analyze 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-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 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol?
The IUPAC name of 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol (CID 135049477) is 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol.
What is the SMILES notation for 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol?
The canonical SMILES for 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol is CC(CCC#CC(O)[Si](C)(C)C)C1CCCCO1.
What is the InChIKey of 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol?
The InChIKey is DGXOWSYBPSNXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-13(14-10-7-8-12-17-14)9-5-6-11-15(16)18(2,3)4/h13-16H,5,7-10,12H2,1-4H3.
What are the key properties of 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol?
6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol has a molecular weight of 268.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yl)-1-trimethylsilylhept-2-yn-1-ol is sourced from PubChem (CID 135049477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).