4-methyl-1-trimethylsilylpent-1-yn-3-ol

C9H18OSi — CID 2759520

IUPAC4-methyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-8(2)9(10)6-7-11(3,4)5/h8-10H,1-5H3
InChIKeySYWBZNVKDLNSGP-UHFFFAOYSA-N
MW170.33 g/mol
LogP1.88
Rot. Bonds1

About 4-methyl-1-trimethylsilylpent-1-yn-3-ol

4-methyl-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 2759520) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 4-methyl-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name4-methyl-1-trimethylsilylpent-1-yn-3-ol
PubChem CID2759520
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name4-methyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-8(2)9(10)6-7-11(3,4)5/h8-10H,1-5H3
InChIKeySYWBZNVKDLNSGP-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 51.88
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 4-methyl-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of 4-methyl-1-trimethylsilylpent-1-yn-3-ol (CID 2759520) is 4-methyl-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for 4-methyl-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for 4-methyl-1-trimethylsilylpent-1-yn-3-ol is CC(C)C(O)C#C[Si](C)(C)C.
What is the InChIKey of 4-methyl-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is SYWBZNVKDLNSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-8(2)9(10)6-7-11(3,4)5/h8-10H,1-5H3.
What are the key properties of 4-methyl-1-trimethylsilylpent-1-yn-3-ol?
4-methyl-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 170.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 2759520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).