5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol

C13H26OSi — CID 10704469

IUPAC5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)C#CCCCO
InChIInChI=1S/C13H26OSi/c1-12(2)13(3,4)15(5,6)11-9-7-8-10-14/h12,14H,7-8,10H2,1-6H3
InChIKeyWLATXTFLACXWJH-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.45
Rot. Bonds4

About 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol

5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol (PubChem CID 10704469) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol.

Molecular Properties

Compound Name5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol
PubChem CID10704469
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)C#CCCCO
InChIInChI=1S/C13H26OSi/c1-12(2)13(3,4)15(5,6)11-9-7-8-10-14/h12,14H,7-8,10H2,1-6H3
InChIKeyWLATXTFLACXWJH-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.45
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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Related Compounds

5-Trimethylsilyl-4-pentyn-1-ol
CID 2760861
3-Methyl-5-(trimethylsilyl)pent-4-yn-2-ol
CID 14084681
6-(Trimethylsilyl)hex-4-yn-1-ol
CID 13434250
4-(Tert-butyldimethylsilyl)but-3-yn-1-ol
CID 86178901
1-Pentyn-3-ol, 4-methyl-1-(trimethylsilyl)-
CID 2759520
4-Pentyn-1-ol, 5-[tris(1-methylethyl)silyl]-
CID 14060629
(2R)-2-methyl-5-trimethylsilylpent-4-yn-1-ol
CID 25107589
(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
5-(Triethylsilyl)-4-pentyn-1-ol
CID 2760695
[(1R,2S)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]methanol
CID 101787984
1-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]-3-trimethylsilylprop-2-yn-1-ol
CID 15121705
3-Trimethylsilylpent-4-yn-1-ol
CID 86178895

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol?
The IUPAC name of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol (CID 10704469) is 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol.
What is the SMILES notation for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol?
The canonical SMILES for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol is CC(C)C(C)(C)[Si](C)(C)C#CCCCO.
What is the InChIKey of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol?
The InChIKey is WLATXTFLACXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-12(2)13(3,4)15(5,6)11-9-7-8-10-14/h12,14H,7-8,10H2,1-6H3.
What are the key properties of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol?
5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol has a molecular weight of 226.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]pent-4-yn-1-ol is sourced from PubChem (CID 10704469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).