tert-butyl-hydroxy-dimethylsilane;pent-1-yne

C11H24OSi — CID 87257088

IUPACtert-butyl-hydroxy-dimethylsilane;pent-1-yne
SMILESC#CCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C6H16OSi.C5H8/c1-6(2,3)8(4,5)7;1-3-5-4-2/h7H,1-5H3;1H,4-5H2,2H3
InChIKeyROKFRWPXABNWAM-UHFFFAOYSA-N
MW200.40 g/mol
LogP3.40
Rot. Bonds1

About tert-butyl-hydroxy-dimethylsilane;pent-1-yne

tert-butyl-hydroxy-dimethylsilane;pent-1-yne (PubChem CID 87257088) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is tert-butyl-hydroxy-dimethylsilane;pent-1-yne.

Molecular Properties

Compound Nametert-butyl-hydroxy-dimethylsilane;pent-1-yne
PubChem CID87257088
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Nametert-butyl-hydroxy-dimethylsilane;pent-1-yne
SMILESC#CCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C6H16OSi.C5H8/c1-6(2,3)8(4,5)7;1-3-5-4-2/h7H,1-5H3;1H,4-5H2,2H3
InChIKeyROKFRWPXABNWAM-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 53.40
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 tert-butyl-hydroxy-dimethylsilane;pent-1-yne?
The IUPAC name of tert-butyl-hydroxy-dimethylsilane;pent-1-yne (CID 87257088) is tert-butyl-hydroxy-dimethylsilane;pent-1-yne.
What is the SMILES notation for tert-butyl-hydroxy-dimethylsilane;pent-1-yne?
The canonical SMILES for tert-butyl-hydroxy-dimethylsilane;pent-1-yne is C#CCCC.CC(C)(C)[Si](C)(C)O.
What is the InChIKey of tert-butyl-hydroxy-dimethylsilane;pent-1-yne?
The InChIKey is ROKFRWPXABNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSi.C5H8/c1-6(2,3)8(4,5)7;1-3-5-4-2/h7H,1-5H3;1H,4-5H2,2H3.
What are the key properties of tert-butyl-hydroxy-dimethylsilane;pent-1-yne?
tert-butyl-hydroxy-dimethylsilane;pent-1-yne has a molecular weight of 200.40 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hydroxy-dimethylsilane;pent-1-yne is sourced from PubChem (CID 87257088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).