1,4-bis(triethylsilyl)but-3-yn-1-ol

C16H34OSi2 — CID 19358398

IUPAC1,4-bis(triethylsilyl)but-3-yn-1-ol
SMILESCC[Si](C#CCC(O)[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C16H34OSi2/c1-7-18(8-2,9-3)15-13-14-16(17)19(10-4,11-5)12-6/h16-17H,7-12,14H2,1-6H3
InChIKeyBPPRSHZUUDPEIK-UHFFFAOYSA-N
MW298.62 g/mol
LogP4.84
Rot. Bonds8

About 1,4-bis(triethylsilyl)but-3-yn-1-ol

1,4-bis(triethylsilyl)but-3-yn-1-ol (PubChem CID 19358398) has the molecular formula C16H34OSi2 and a molecular weight of 298.62 g/mol. Its IUPAC name is 1,4-bis(triethylsilyl)but-3-yn-1-ol.

Molecular Properties

Compound Name1,4-bis(triethylsilyl)but-3-yn-1-ol
PubChem CID19358398
Molecular FormulaC16H34OSi2
Molecular Weight298.62 g/mol
Exact Mass298.21
IUPAC Name1,4-bis(triethylsilyl)but-3-yn-1-ol
SMILESCC[Si](C#CCC(O)[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C16H34OSi2/c1-7-18(8-2,9-3)15-13-14-16(17)19(10-4,11-5)12-6/h16-17H,7-12,14H2,1-6H3
InChIKeyBPPRSHZUUDPEIK-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.62
LogP ≤ 54.84
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 1,4-bis(triethylsilyl)but-3-yn-1-ol?
The IUPAC name of 1,4-bis(triethylsilyl)but-3-yn-1-ol (CID 19358398) is 1,4-bis(triethylsilyl)but-3-yn-1-ol.
What is the SMILES notation for 1,4-bis(triethylsilyl)but-3-yn-1-ol?
The canonical SMILES for 1,4-bis(triethylsilyl)but-3-yn-1-ol is CC[Si](C#CCC(O)[Si](CC)(CC)CC)(CC)CC.
What is the InChIKey of 1,4-bis(triethylsilyl)but-3-yn-1-ol?
The InChIKey is BPPRSHZUUDPEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi2/c1-7-18(8-2,9-3)15-13-14-16(17)19(10-4,11-5)12-6/h16-17H,7-12,14H2,1-6H3.
What are the key properties of 1,4-bis(triethylsilyl)but-3-yn-1-ol?
1,4-bis(triethylsilyl)but-3-yn-1-ol has a molecular weight of 298.62 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(triethylsilyl)but-3-yn-1-ol is sourced from PubChem (CID 19358398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).