3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane

C25H46OSi — CID 134875479

IUPAC3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane
SMILESCCCCCCCCC#CCC(C)(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H46OSi/c1-10-11-12-13-14-15-16-17-18-19-25(8,9)20-21-26-27(22(2)3,23(4)5)24(6)7/h22-24H,10-16,19H2,1-9H3
InChIKeyTWDVAQCYMKQFMD-UHFFFAOYSA-N
MW390.73 g/mol
LogP8.31
Rot. Bonds11

About 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane

3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane (PubChem CID 134875479) has the molecular formula C25H46OSi and a molecular weight of 390.73 g/mol. Its IUPAC name is 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane
PubChem CID134875479
Molecular FormulaC25H46OSi
Molecular Weight390.73 g/mol
Exact Mass390.33
IUPAC Name3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane
SMILESCCCCCCCCC#CCC(C)(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H46OSi/c1-10-11-12-13-14-15-16-17-18-19-25(8,9)20-21-26-27(22(2)3,23(4)5)24(6)7/h22-24H,10-16,19H2,1-9H3
InChIKeyTWDVAQCYMKQFMD-UHFFFAOYSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.73
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane?
The IUPAC name of 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane (CID 134875479) is 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane is CCCCCCCCC#CCC(C)(C)C#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane?
The InChIKey is TWDVAQCYMKQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46OSi/c1-10-11-12-13-14-15-16-17-18-19-25(8,9)20-21-26-27(22(2)3,23(4)5)24(6)7/h22-24H,10-16,19H2,1-9H3.
What are the key properties of 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane?
3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane has a molecular weight of 390.73 g/mol, XLogP of 8.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyltetradeca-1,5-diynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134875479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).