1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol

C11H22O2Si — CID 87178346

IUPAC1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
SMILESC#CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-10(12)9-13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3
InChIKeyKQNMBZJILAHXPM-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.39
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol

1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol (PubChem CID 87178346) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
PubChem CID87178346
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
SMILESC#CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-10(12)9-13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3
InChIKeyKQNMBZJILAHXPM-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol (CID 87178346) is 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol is C#CCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol?
The InChIKey is KQNMBZJILAHXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-8-10(12)9-13-14(5,6)11(2,3)4/h1,10,12H,8-9H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol?
1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol has a molecular weight of 214.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol is sourced from PubChem (CID 87178346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).