4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne

C16H29OSi — CID 6327733

IUPAC—
SMILESC=C(C)C#CC(CC(C)C)O[Si](C(C)C)C(C)C
InChIInChI=1S/C16H29OSi/c1-12(2)9-10-16(11-13(3)4)17-18(14(5)6)15(7)8/h13-16H,1,11H2,2-8H3
InChIKeyQGCQAGGDXUPBAU-UHFFFAOYSA-N
MW265.49 g/mol
LogP4.81
Rot. Bonds6

About 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne

4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne (PubChem CID 6327733) has the molecular formula C16H29OSi and a molecular weight of 265.49 g/mol.

Molecular Properties

Compound Name4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne
PubChem CID6327733
Molecular FormulaC16H29OSi
Molecular Weight265.49 g/mol
Exact Mass265.20
IUPAC Name—
SMILESC=C(C)C#CC(CC(C)C)O[Si](C(C)C)C(C)C
InChIInChI=1S/C16H29OSi/c1-12(2)9-10-16(11-13(3)4)17-18(14(5)6)15(7)8/h13-16H,1,11H2,2-8H3
InChIKeyQGCQAGGDXUPBAU-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne 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 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne?
The IUPAC name of 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne (CID 6327733) is not available.
What is the SMILES notation for 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne?
The canonical SMILES for 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne is C=C(C)C#CC(CC(C)C)O[Si](C(C)C)C(C)C.
What is the InChIKey of 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne?
The InChIKey is QGCQAGGDXUPBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29OSi/c1-12(2)9-10-16(11-13(3)4)17-18(14(5)6)15(7)8/h13-16H,1,11H2,2-8H3.
What are the key properties of 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne?
4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne has a molecular weight of 265.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Diisopropylsilyloxy-2,7-dimethyloct-7-en-5-yne is sourced from PubChem (CID 6327733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).