4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol

C14H28O2Si — CID 87193799

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol
SMILESCCCC(C)(C#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-14(5,11-9-12-15)16-17(6,7)13(2,3)4/h15H,8,10,12H2,1-7H3
InChIKeyCWTDDPNRFKROHX-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.56
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol (PubChem CID 87193799) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol
PubChem CID87193799
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol
SMILESCCCC(C)(C#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-14(5,11-9-12-15)16-17(6,7)13(2,3)4/h15H,8,10,12H2,1-7H3
InChIKeyCWTDDPNRFKROHX-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.56
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 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-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 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol (CID 87193799) is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol is CCCC(C)(C#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol?
The InChIKey is CWTDDPNRFKROHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-10-14(5,11-9-12-15)16-17(6,7)13(2,3)4/h15H,8,10,12H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol is sourced from PubChem (CID 87193799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).