1-tri(propan-2-yl)silyloct-1-yn-3-ol

C17H34OSi — CID 85409257

IUPAC1-tri(propan-2-yl)silyloct-1-yn-3-ol
SMILESCCCCCC(O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-8-9-10-11-17(18)12-13-19(14(2)3,15(4)5)16(6)7/h14-18H,8-11H2,1-7H3
InChIKeyRCVKYXJMNVXISS-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.15
Rot. Bonds7

About 1-tri(propan-2-yl)silyloct-1-yn-3-ol

1-tri(propan-2-yl)silyloct-1-yn-3-ol (PubChem CID 85409257) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silyloct-1-yn-3-ol.

Molecular Properties

Compound Name1-tri(propan-2-yl)silyloct-1-yn-3-ol
PubChem CID85409257
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name1-tri(propan-2-yl)silyloct-1-yn-3-ol
SMILESCCCCCC(O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-8-9-10-11-17(18)12-13-19(14(2)3,15(4)5)16(6)7/h14-18H,8-11H2,1-7H3
InChIKeyRCVKYXJMNVXISS-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.15
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 1-tri(propan-2-yl)silyloct-1-yn-3-ol?
The IUPAC name of 1-tri(propan-2-yl)silyloct-1-yn-3-ol (CID 85409257) is 1-tri(propan-2-yl)silyloct-1-yn-3-ol.
What is the SMILES notation for 1-tri(propan-2-yl)silyloct-1-yn-3-ol?
The canonical SMILES for 1-tri(propan-2-yl)silyloct-1-yn-3-ol is CCCCCC(O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silyloct-1-yn-3-ol?
The InChIKey is RCVKYXJMNVXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-8-9-10-11-17(18)12-13-19(14(2)3,15(4)5)16(6)7/h14-18H,8-11H2,1-7H3.
What are the key properties of 1-tri(propan-2-yl)silyloct-1-yn-3-ol?
1-tri(propan-2-yl)silyloct-1-yn-3-ol has a molecular weight of 282.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silyloct-1-yn-3-ol is sourced from PubChem (CID 85409257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).