4-methyl-1-trimethylsilyloct-1-yn-4-ol

C12H24OSi — CID 71337290

IUPAC4-methyl-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCCC(C)(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-7-9-12(2,13)10-8-11-14(3,4)5/h13H,6-7,9-10H2,1-5H3
InChIKeyWQYRPPKVPMRGAY-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.20
Rot. Bonds4

About 4-methyl-1-trimethylsilyloct-1-yn-4-ol

4-methyl-1-trimethylsilyloct-1-yn-4-ol (PubChem CID 71337290) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 4-methyl-1-trimethylsilyloct-1-yn-4-ol.

Molecular Properties

Compound Name4-methyl-1-trimethylsilyloct-1-yn-4-ol
PubChem CID71337290
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name4-methyl-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCCC(C)(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-7-9-12(2,13)10-8-11-14(3,4)5/h13H,6-7,9-10H2,1-5H3
InChIKeyWQYRPPKVPMRGAY-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.20
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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Related Compounds

1-Trimethylsilanylethynyl-cyclohexanol
CID 205445
1-(((Chloromethyl)dimethylsilyl)ethynyl)-cyclohexanol
CID 99375
3-Ethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 15526815
5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
Triethyl[(4-methyloct-1-YN-4-YL)oxy]silane
CID 13260212
1-(Trimethylsilyl)-3-methyl-1-nonyn-3-ol
CID 15649677
2-Fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 70075127
1-(3-Methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
CID 10243305
Cyclohexanol, 1-[3-(trimethylsilyl)-1-propynyl]-
CID 10856759
(3S)-3-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 53483592
2-Ethynyl-1,1,3-trimethylsilinan-2-ol
CID 85519309
5-Hydroxy-5,5-dimethylpentyl-trimethylsilane
CID 129828664

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-trimethylsilyloct-1-yn-4-ol?
The IUPAC name of 4-methyl-1-trimethylsilyloct-1-yn-4-ol (CID 71337290) is 4-methyl-1-trimethylsilyloct-1-yn-4-ol.
What is the SMILES notation for 4-methyl-1-trimethylsilyloct-1-yn-4-ol?
The canonical SMILES for 4-methyl-1-trimethylsilyloct-1-yn-4-ol is CCCCC(C)(O)CC#C[Si](C)(C)C.
What is the InChIKey of 4-methyl-1-trimethylsilyloct-1-yn-4-ol?
The InChIKey is WQYRPPKVPMRGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-6-7-9-12(2,13)10-8-11-14(3,4)5/h13H,6-7,9-10H2,1-5H3.
What are the key properties of 4-methyl-1-trimethylsilyloct-1-yn-4-ol?
4-methyl-1-trimethylsilyloct-1-yn-4-ol has a molecular weight of 212.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-trimethylsilyloct-1-yn-4-ol is sourced from PubChem (CID 71337290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).