3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol

C19H37FOSi — CID 10806206

IUPAC3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol
SMILESCCCCCCC(O)C(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H37FOSi/c1-8-9-10-11-12-19(21)18(20)13-14-22(15(2)3,16(4)5)17(6)7/h15-19,21H,8-12H2,1-7H3
InChIKeyHZMFNPCMRNIYLJ-UHFFFAOYSA-N
MW328.59 g/mol
LogP5.88
Rot. Bonds9

About 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol

3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol (PubChem CID 10806206) has the molecular formula C19H37FOSi and a molecular weight of 328.59 g/mol. Its IUPAC name is 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol.

Molecular Properties

Compound Name3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol
PubChem CID10806206
Molecular FormulaC19H37FOSi
Molecular Weight328.59 g/mol
Exact Mass328.26
IUPAC Name3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol
SMILESCCCCCCC(O)C(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H37FOSi/c1-8-9-10-11-12-19(21)18(20)13-14-22(15(2)3,16(4)5)17(6)7/h15-19,21H,8-12H2,1-7H3
InChIKeyHZMFNPCMRNIYLJ-UHFFFAOYSA-N
XLogP5.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.59
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol?
The IUPAC name of 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol (CID 10806206) is 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol.
What is the SMILES notation for 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol?
The canonical SMILES for 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol is CCCCCCC(O)C(F)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol?
The InChIKey is HZMFNPCMRNIYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FOSi/c1-8-9-10-11-12-19(21)18(20)13-14-22(15(2)3,16(4)5)17(6)7/h15-19,21H,8-12H2,1-7H3.
What are the key properties of 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol?
3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol has a molecular weight of 328.59 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol is sourced from PubChem (CID 10806206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).