3-butan-2-yl-1,2,4,3,5-trioxadisilolane

C4H12O3Si2 — CID 174760038

IUPAC3-butan-2-yl-1,2,4,3,5-trioxadisilolane
SMILESCCC(C)[SiH]1OO[SiH2]O1
InChIInChI=1S/C4H12O3Si2/c1-3-4(2)9-6-5-8-7-9/h4,9H,3,8H2,1-2H3
InChIKeyQZLJJENMCNIDAT-UHFFFAOYSA-N
MW164.31 g/mol
LogP-0.02
Rot. Bonds2

About 3-butan-2-yl-1,2,4,3,5-trioxadisilolane

3-butan-2-yl-1,2,4,3,5-trioxadisilolane (PubChem CID 174760038) has the molecular formula C4H12O3Si2 and a molecular weight of 164.31 g/mol. Its IUPAC name is 3-butan-2-yl-1,2,4,3,5-trioxadisilolane.

Molecular Properties

Compound Name3-butan-2-yl-1,2,4,3,5-trioxadisilolane
PubChem CID174760038
Molecular FormulaC4H12O3Si2
Molecular Weight164.31 g/mol
Exact Mass164.03
IUPAC Name3-butan-2-yl-1,2,4,3,5-trioxadisilolane
SMILESCCC(C)[SiH]1OO[SiH2]O1
InChIInChI=1S/C4H12O3Si2/c1-3-4(2)9-6-5-8-7-9/h4,9H,3,8H2,1-2H3
InChIKeyQZLJJENMCNIDAT-UHFFFAOYSA-N
XLogP-0.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175308763
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CID 154064392
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CID 173009567
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
trilithium;tris(butan-2-olate)
CID 162372928
butan-2-ylaluminum(2+) dichloride
CID 18763964
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane
CID 175708401
1-(1-aminoethyl-hydroxy-methylsilyl)propan-1-amine
CID 140533872
CID 169430456
CID 169430456
2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine
CID 43274497

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,2,4,3,5-trioxadisilolane?
The IUPAC name of 3-butan-2-yl-1,2,4,3,5-trioxadisilolane (CID 174760038) is 3-butan-2-yl-1,2,4,3,5-trioxadisilolane.
What is the SMILES notation for 3-butan-2-yl-1,2,4,3,5-trioxadisilolane?
The canonical SMILES for 3-butan-2-yl-1,2,4,3,5-trioxadisilolane is CCC(C)[SiH]1OO[SiH2]O1.
What is the InChIKey of 3-butan-2-yl-1,2,4,3,5-trioxadisilolane?
The InChIKey is QZLJJENMCNIDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3Si2/c1-3-4(2)9-6-5-8-7-9/h4,9H,3,8H2,1-2H3.
What are the key properties of 3-butan-2-yl-1,2,4,3,5-trioxadisilolane?
3-butan-2-yl-1,2,4,3,5-trioxadisilolane has a molecular weight of 164.31 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,2,4,3,5-trioxadisilolane is sourced from PubChem (CID 174760038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).