1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

C17H32OSi2 — CID 2760868

IUPAC1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESCC(C)[Si](C#CC(O)C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi2/c1-14(2)20(15(3)4,16(5)6)13-11-17(18)10-12-19(7,8)9/h14-18H,1-9H3
InChIKeyZVUCWTAOYQSPHB-UHFFFAOYSA-N
MW308.61 g/mol
LogP4.45
Rot. Bonds3

About 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (PubChem CID 2760868) has the molecular formula C17H32OSi2 and a molecular weight of 308.61 g/mol. Its IUPAC name is 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.

Molecular Properties

Compound Name1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
PubChem CID2760868
Molecular FormulaC17H32OSi2
Molecular Weight308.61 g/mol
Exact Mass308.20
IUPAC Name1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESCC(C)[Si](C#CC(O)C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi2/c1-14(2)20(15(3)4,16(5)6)13-11-17(18)10-12-19(7,8)9/h14-18H,1-9H3
InChIKeyZVUCWTAOYQSPHB-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 54.45
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-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The IUPAC name of 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (CID 2760868) is 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.
What is the SMILES notation for 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The canonical SMILES for 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is CC(C)[Si](C#CC(O)C#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The InChIKey is ZVUCWTAOYQSPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi2/c1-14(2)20(15(3)4,16(5)6)13-11-17(18)10-12-19(7,8)9/h14-18H,1-9H3.
What are the key properties of 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol has a molecular weight of 308.61 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is sourced from PubChem (CID 2760868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).