2-butoxy-1,3,5,2,4,6-trioxatrisilinane

C4H14O4Si3 — CID 154116500

IUPAC2-butoxy-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCCO[SiH]1O[SiH2]O[SiH2]O1
InChIInChI=1S/C4H14O4Si3/c1-2-3-4-5-11-7-9-6-10-8-11/h11H,2-4,9-10H2,1H3
InChIKeyUXCNDWSPAHGBHR-UHFFFAOYSA-N
MW210.41 g/mol
LogP-1.42
Rot. Bonds4

About 2-butoxy-1,3,5,2,4,6-trioxatrisilinane

2-butoxy-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 154116500) has the molecular formula C4H14O4Si3 and a molecular weight of 210.41 g/mol. Its IUPAC name is 2-butoxy-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2-butoxy-1,3,5,2,4,6-trioxatrisilinane
PubChem CID154116500
Molecular FormulaC4H14O4Si3
Molecular Weight210.41 g/mol
Exact Mass210.02
IUPAC Name2-butoxy-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCCO[SiH]1O[SiH2]O[SiH2]O1
InChIInChI=1S/C4H14O4Si3/c1-2-3-4-5-11-7-9-6-10-8-11/h11H,2-4,9-10H2,1H3
InChIKeyUXCNDWSPAHGBHR-UHFFFAOYSA-N
XLogP-1.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.41
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane
CID 174848492
1-propan-2-yloxybutane;zirconium
CID 174617524
1,1,4,4-tetrabutoxybutane
CID 139887225
methane;1-propan-2-yloxybutane
CID 158518476
1-butylperoxybutane
CID 159275797
1-butylperoxybutane;hydrate
CID 158567350
pentane;stannane
CID 173279416
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
1,1-dibutoxyoctane
CID 54557001
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
tribromo(butoxy)germane
CID 22477053

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2-butoxy-1,3,5,2,4,6-trioxatrisilinane (CID 154116500) is 2-butoxy-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2-butoxy-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2-butoxy-1,3,5,2,4,6-trioxatrisilinane is CCCCO[SiH]1O[SiH2]O[SiH2]O1.
What is the InChIKey of 2-butoxy-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is UXCNDWSPAHGBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14O4Si3/c1-2-3-4-5-11-7-9-6-10-8-11/h11H,2-4,9-10H2,1H3.
What are the key properties of 2-butoxy-1,3,5,2,4,6-trioxatrisilinane?
2-butoxy-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 210.41 g/mol, XLogP of -1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 154116500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).