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

C21H38OSi — CID 11674419

IUPAC3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane
SMILESCCCCC#CCC(C)(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38OSi/c1-10-11-12-13-14-15-21(8,9)16-17-22-23(18(2)3,19(4)5)20(6)7/h18-20H,10-12,15H2,1-9H3
InChIKeyFZPMDUGMZVSIEU-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.75
Rot. Bonds7

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

3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane (PubChem CID 11674419) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane
PubChem CID11674419
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane
SMILESCCCCC#CCC(C)(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38OSi/c1-10-11-12-13-14-15-21(8,9)16-17-22-23(18(2)3,19(4)5)20(6)7/h18-20H,10-12,15H2,1-9H3
InChIKeyFZPMDUGMZVSIEU-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.75
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-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane?
The IUPAC name of 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane (CID 11674419) is 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane is CCCCC#CCC(C)(C)C#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane?
The InChIKey is FZPMDUGMZVSIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-10-11-12-13-14-15-21(8,9)16-17-22-23(18(2)3,19(4)5)20(6)7/h18-20H,10-12,15H2,1-9H3.
What are the key properties of 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane?
3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane has a molecular weight of 334.62 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldeca-1,5-diynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11674419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).