4-propyl-1-trimethylsilylhept-1-yn-4-ol

C13H26OSi — CID 12653261

IUPAC4-propyl-1-trimethylsilylhept-1-yn-4-ol
SMILESCCCC(O)(CC#C[Si](C)(C)C)CCC
InChIInChI=1S/C13H26OSi/c1-6-9-13(14,10-7-2)11-8-12-15(3,4)5/h14H,6-7,9-11H2,1-5H3
InChIKeySRNSGVMIPBHKRX-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.59
Rot. Bonds5

About 4-propyl-1-trimethylsilylhept-1-yn-4-ol

4-propyl-1-trimethylsilylhept-1-yn-4-ol (PubChem CID 12653261) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 4-propyl-1-trimethylsilylhept-1-yn-4-ol.

Molecular Properties

Compound Name4-propyl-1-trimethylsilylhept-1-yn-4-ol
PubChem CID12653261
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name4-propyl-1-trimethylsilylhept-1-yn-4-ol
SMILESCCCC(O)(CC#C[Si](C)(C)C)CCC
InChIInChI=1S/C13H26OSi/c1-6-9-13(14,10-7-2)11-8-12-15(3,4)5/h14H,6-7,9-11H2,1-5H3
InChIKeySRNSGVMIPBHKRX-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
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-propyl-1-trimethylsilylhept-1-yn-4-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 4-propyl-1-trimethylsilylhept-1-yn-4-ol?
The IUPAC name of 4-propyl-1-trimethylsilylhept-1-yn-4-ol (CID 12653261) is 4-propyl-1-trimethylsilylhept-1-yn-4-ol.
What is the SMILES notation for 4-propyl-1-trimethylsilylhept-1-yn-4-ol?
The canonical SMILES for 4-propyl-1-trimethylsilylhept-1-yn-4-ol is CCCC(O)(CC#C[Si](C)(C)C)CCC.
What is the InChIKey of 4-propyl-1-trimethylsilylhept-1-yn-4-ol?
The InChIKey is SRNSGVMIPBHKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-6-9-13(14,10-7-2)11-8-12-15(3,4)5/h14H,6-7,9-11H2,1-5H3.
What are the key properties of 4-propyl-1-trimethylsilylhept-1-yn-4-ol?
4-propyl-1-trimethylsilylhept-1-yn-4-ol has a molecular weight of 226.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-trimethylsilylhept-1-yn-4-ol is sourced from PubChem (CID 12653261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).