4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate

C12H24O3Si2 — CID 53483590

IUPAC4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
SMILESCC(=O)OCCCCC1=C[Si](C)(C)O[Si]1(C)C
InChIInChI=1S/C12H24O3Si2/c1-11(13)14-9-7-6-8-12-10-16(2,3)15-17(12,4)5/h10H,6-9H2,1-5H3
InChIKeyPABHVKAPNADKOW-UHFFFAOYSA-N
MW272.49 g/mol
LogP3.16
Rot. Bonds5

About 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate

4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate (PubChem CID 53483590) has the molecular formula C12H24O3Si2 and a molecular weight of 272.49 g/mol. Its IUPAC name is 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate.

Molecular Properties

Compound Name4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
PubChem CID53483590
Molecular FormulaC12H24O3Si2
Molecular Weight272.49 g/mol
Exact Mass272.13
IUPAC Name4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
SMILESCC(=O)OCCCCC1=C[Si](C)(C)O[Si]1(C)C
InChIInChI=1S/C12H24O3Si2/c1-11(13)14-9-7-6-8-12-10-16(2,3)15-17(12,4)5/h10H,6-9H2,1-5H3
InChIKeyPABHVKAPNADKOW-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
[(Z)-5,6-bis(trimethylsilyl)hex-5-enyl] acetate
CID 134966721
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate
CID 138974747
[6-[Tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate
CID 164673289
4-[Diethoxy(methyl)silyl]pent-4-enyl acetate
CID 12014239
[(Z)-6-triethoxysilylhex-5-enyl] acetate
CID 101049480
4-Triethylsilylpent-4-enyl acetate
CID 101383505
CID 136823403
CID 136823403

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate?
The IUPAC name of 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate (CID 53483590) is 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate.
What is the SMILES notation for 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate?
The canonical SMILES for 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate is CC(=O)OCCCCC1=C[Si](C)(C)O[Si]1(C)C.
What is the InChIKey of 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate?
The InChIKey is PABHVKAPNADKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si2/c1-11(13)14-9-7-6-8-12-10-16(2,3)15-17(12,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate?
4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate has a molecular weight of 272.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,5,5-tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate is sourced from PubChem (CID 53483590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).