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

C13H26O2Si — CID 10399504

IUPAC5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)OCCC#CCO
InChIInChI=1S/C13H26O2Si/c1-12(2)13(3,4)16(5,6)15-11-9-7-8-10-14/h12,14H,9-11H2,1-6H3
InChIKeyHQKBPBXSIOUFJY-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.03
Rot. Bonds5

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

5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol (PubChem CID 10399504) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol.

Molecular Properties

Compound Name5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol
PubChem CID10399504
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)OCCC#CCO
InChIInChI=1S/C13H26O2Si/c1-12(2)13(3,4)16(5,6)15-11-9-7-8-10-14/h12,14H,9-11H2,1-6H3
InChIKeyHQKBPBXSIOUFJY-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol?
The IUPAC name of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol (CID 10399504) is 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol.
What is the SMILES notation for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol?
The canonical SMILES for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol is CC(C)C(C)(C)[Si](C)(C)OCCC#CCO.
What is the InChIKey of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol?
The InChIKey is HQKBPBXSIOUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(2)13(3,4)16(5,6)15-11-9-7-8-10-14/h12,14H,9-11H2,1-6H3.
What are the key properties of 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol?
5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol is sourced from PubChem (CID 10399504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).