(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol

C15H30OSi — CID 88832509

IUPAC(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol
SMILESCCCC[C@](C)(O)CC#C[Si](CC)(CC)CC
InChIInChI=1S/C15H30OSi/c1-6-10-12-15(5,16)13-11-14-17(7-2,8-3)9-4/h16H,6-10,12-13H2,1-5H3/t15-/m0/s1
InChIKeyQDIDCVWQOHFBHT-HNNXBMFYSA-N
MW254.49 g/mol
LogP4.37
Rot. Bonds7

About (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol

(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol (PubChem CID 88832509) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol.

Molecular Properties

Compound Name(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol
PubChem CID88832509
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol
SMILESCCCC[C@](C)(O)CC#C[Si](CC)(CC)CC
InChIInChI=1S/C15H30OSi/c1-6-10-12-15(5,16)13-11-14-17(7-2,8-3)9-4/h16H,6-10,12-13H2,1-5H3/t15-/m0/s1
InChIKeyQDIDCVWQOHFBHT-HNNXBMFYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.37
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 (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol?
The IUPAC name of (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol (CID 88832509) is (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol.
What is the SMILES notation for (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol?
The canonical SMILES for (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol is CCCC[C@](C)(O)CC#C[Si](CC)(CC)CC.
What is the InChIKey of (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol?
The InChIKey is QDIDCVWQOHFBHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-6-10-12-15(5,16)13-11-14-17(7-2,8-3)9-4/h16H,6-10,12-13H2,1-5H3/t15-/m0/s1.
What are the key properties of (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol?
(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol has a molecular weight of 254.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol is sourced from PubChem (CID 88832509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).