3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol

C15H29FOSi — CID 10540146

IUPAC3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
SMILESCC(C)[Si](C#CC(F)C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C15H29FOSi/c1-11(2)18(12(3)4,13(5)6)10-9-14(16)15(7,8)17/h11-14,17H,1-8H3
InChIKeyWHYQSFMXZMBJNF-UHFFFAOYSA-N
MW272.48 g/mol
LogP4.32
Rot. Bonds4

About 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol

3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol (PubChem CID 10540146) has the molecular formula C15H29FOSi and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
PubChem CID10540146
Molecular FormulaC15H29FOSi
Molecular Weight272.48 g/mol
Exact Mass272.20
IUPAC Name3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
SMILESCC(C)[Si](C#CC(F)C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C15H29FOSi/c1-11(2)18(12(3)4,13(5)6)10-9-14(16)15(7,8)17/h11-14,17H,1-8H3
InChIKeyWHYQSFMXZMBJNF-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 54.32
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 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol with MolForge

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Related Compounds

2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 332724
3-Ethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 15526815
6-Trimethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 10678951
3-Methyl-1-(trimethylsilyl)pent-1-yn-3-ol
CID 12630623
3-Trifluoromethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 59774905
Fluoro-2-methyl-4-triethylsilyl-but-3-yn-2-ol
CID 86693093
3-(Trifluoromethyl)-5-trimethylsilylpent-1-yn-3-ol
CID 87244259
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
6-Dimethylethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 129806516
(3R)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 135054452
3,3-Difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 15495758
4,4-Difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 15495759

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The IUPAC name of 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol (CID 10540146) is 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol.
What is the SMILES notation for 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The canonical SMILES for 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol is CC(C)[Si](C#CC(F)C(C)(C)O)(C(C)C)C(C)C.
What is the InChIKey of 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The InChIKey is WHYQSFMXZMBJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FOSi/c1-11(2)18(12(3)4,13(5)6)10-9-14(16)15(7,8)17/h11-14,17H,1-8H3.
What are the key properties of 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol has a molecular weight of 272.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol is sourced from PubChem (CID 10540146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).