1-deuterio-3-trimethylsilylprop-2-yn-1-ol

C6H12OSi — CID 170672401

IUPAC1-deuterio-3-trimethylsilylprop-2-yn-1-ol
SMILES[2H]C(O)C#C[Si](C)(C)C
InChIInChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3/i5D
InChIKeyZVGCJDPEKKEYES-UICOGKGYSA-N
MW129.25 g/mol
LogP0.86
Rot. Bonds

About 1-deuterio-3-trimethylsilylprop-2-yn-1-ol

1-deuterio-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 170672401) has the molecular formula C6H12OSi and a molecular weight of 129.25 g/mol. Its IUPAC name is 1-deuterio-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-deuterio-3-trimethylsilylprop-2-yn-1-ol
PubChem CID170672401
Molecular FormulaC6H12OSi
Molecular Weight129.25 g/mol
Exact Mass129.07
IUPAC Name1-deuterio-3-trimethylsilylprop-2-yn-1-ol
SMILES[2H]C(O)C#C[Si](C)(C)C
InChIInChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3/i5D
InChIKeyZVGCJDPEKKEYES-UICOGKGYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 50.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-deuterio-3-trimethylsilylprop-2-yn-1-ol (CID 170672401) is 1-deuterio-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-deuterio-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-deuterio-3-trimethylsilylprop-2-yn-1-ol is [2H]C(O)C#C[Si](C)(C)C.
What is the InChIKey of 1-deuterio-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is ZVGCJDPEKKEYES-UICOGKGYSA-N. The full InChI is InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3/i5D.
What are the key properties of 1-deuterio-3-trimethylsilylprop-2-yn-1-ol?
1-deuterio-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 129.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 170672401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).