bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane

C26H52O6Si — CID 67772031

IUPACbis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane
SMILESCCCCOC(CC)(C1CCO1)[Si](OC(C)C)(OC(C)C)C(CC)(OCCCC)C1CCO1
InChIInChI=1S/C26H52O6Si/c1-9-13-17-29-25(11-3,23-15-19-27-23)33(31-21(5)6,32-22(7)8)26(12-4,24-16-20-28-24)30-18-14-10-2/h21-24H,9-20H2,1-8H3
InChIKeyJUKJGCJXSZCTSK-UHFFFAOYSA-N
MW488.78 g/mol
LogP5.87
Rot. Bonds18

About bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane

bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane (PubChem CID 67772031) has the molecular formula C26H52O6Si and a molecular weight of 488.78 g/mol. Its IUPAC name is bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane.

Molecular Properties

Compound Namebis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane
PubChem CID67772031
Molecular FormulaC26H52O6Si
Molecular Weight488.78 g/mol
Exact Mass488.35
IUPAC Namebis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane
SMILESCCCCOC(CC)(C1CCO1)[Si](OC(C)C)(OC(C)C)C(CC)(OCCCC)C1CCO1
InChIInChI=1S/C26H52O6Si/c1-9-13-17-29-25(11-3,23-15-19-27-23)33(31-21(5)6,32-22(7)8)26(12-4,24-16-20-28-24)30-18-14-10-2/h21-24H,9-20H2,1-8H3
InChIKeyJUKJGCJXSZCTSK-UHFFFAOYSA-N
XLogP5.87
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.78
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
ethoxy-(oxetan-2-yloxy)-di(propan-2-yl)silane
CID 174491627
2-butoxy-2-propan-2-yloxybutane
CID 174800754
1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane
CID 91697262
dibutyl-methyl-propan-2-yloxysilane
CID 87144451
2-propan-2-yloxyoxetane
CID 123446123
3-butoxy-3-methylpentan-2-ol
CID 175045885
2-(1-cyclopropylpentyl)oxetane
CID 174056372
2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane
CID 144531318
1-methoxyethoxy-dimethyl-(3,3,3-tributoxypropyl)silane
CID 151824293
ethoxy-methyl-octyl-propan-2-yloxysilane
CID 175038920
butoxy-dimethyl-pentan-2-yloxysilane
CID 91726705

Frequently Asked Questions

What is the IUPAC name of bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane?
The IUPAC name of bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane (CID 67772031) is bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane.
What is the SMILES notation for bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane?
The canonical SMILES for bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane is CCCCOC(CC)(C1CCO1)[Si](OC(C)C)(OC(C)C)C(CC)(OCCCC)C1CCO1.
What is the InChIKey of bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane?
The InChIKey is JUKJGCJXSZCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O6Si/c1-9-13-17-29-25(11-3,23-15-19-27-23)33(31-21(5)6,32-22(7)8)26(12-4,24-16-20-28-24)30-18-14-10-2/h21-24H,9-20H2,1-8H3.
What are the key properties of bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane?
bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane has a molecular weight of 488.78 g/mol, XLogP of 5.87, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-butoxy-1-(oxetan-2-yl)propyl]-di(propan-2-yloxy)silane is sourced from PubChem (CID 67772031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).