4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol

C16H30F2OSi — CID 15495759

IUPAC4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
SMILESCCC(C)(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30F2OSi/c1-9-15(8,19)16(17,18)10-11-20(12(2)3,13(4)5)14(6)7/h12-14,19H,9H2,1-8H3
InChIKeyUHVHIWLBJJVVID-UHFFFAOYSA-N
MW304.50 g/mol
LogP5.00
Rot. Bonds5

About 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol

4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol (PubChem CID 15495759) has the molecular formula C16H30F2OSi and a molecular weight of 304.50 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
PubChem CID15495759
Molecular FormulaC16H30F2OSi
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
SMILESCCC(C)(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30F2OSi/c1-9-15(8,19)16(17,18)10-11-20(12(2)3,13(4)5)14(6)7/h12-14,19H,9H2,1-8H3
InChIKeyUHVHIWLBJJVVID-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 55.00
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 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-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

Related Compounds

3-Ethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 15526815
3-Trifluoromethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 59774905
3-(Trifluoromethyl)-5-trimethylsilylpent-1-yn-3-ol
CID 87244259
(4R)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 141283508
(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 141283509
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
3-Fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 10540146
3,3-Difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 15495758
4,4-Difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
CID 54590419
3-Ethyl-1-tri(propan-2-yl)silylpent-1-yn-3-ol
CID 159866305
3-Ethyl-4-(trimethylsilyl)non-5-yn-3-ol
CID 71412446

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
The IUPAC name of 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol (CID 15495759) is 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol.
What is the SMILES notation for 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
The canonical SMILES for 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol is CCC(C)(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
The InChIKey is UHVHIWLBJJVVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2OSi/c1-9-15(8,19)16(17,18)10-11-20(12(2)3,13(4)5)14(6)7/h12-14,19H,9H2,1-8H3.
What are the key properties of 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol has a molecular weight of 304.50 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol is sourced from PubChem (CID 15495759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).