2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane

C6H20O5Si3 — CID 174848492

IUPAC2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane
SMILESCCCCOCCO.O1[SiH2]O[SiH2]O[SiH2]1
InChIInChI=1S/C6H14O2.H6O3Si3/c1-2-3-5-8-6-4-7;1-4-2-6-3-5-1/h7H,2-6H2,1H3;4-6H2
InChIKeyWYCAARRGMAPIPU-UHFFFAOYSA-N
MW256.48 g/mol
LogP-2.16
Rot. Bonds5

About 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane

2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane (PubChem CID 174848492) has the molecular formula C6H20O5Si3 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane
PubChem CID174848492
Molecular FormulaC6H20O5Si3
Molecular Weight256.48 g/mol
Exact Mass256.06
IUPAC Name2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane
SMILESCCCCOCCO.O1[SiH2]O[SiH2]O[SiH2]1
InChIInChI=1S/C6H14O2.H6O3Si3/c1-2-3-5-8-6-4-7;1-4-2-6-3-5-1/h7H,2-6H2,1H3;4-6H2
InChIKeyWYCAARRGMAPIPU-UHFFFAOYSA-N
XLogP-2.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
CID 8133
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol;molecular nitrogen
CID 86737982
2-butoxyethanol;ethanol;ethanolate;tantalum
CID 162354945
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
sodium;2-butoxyethanol;perchlorate
CID 160950535
2-tetradecoxyethanol
CID 16491

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane (CID 174848492) is 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane is CCCCOCCO.O1[SiH2]O[SiH2]O[SiH2]1.
What is the InChIKey of 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is WYCAARRGMAPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.H6O3Si3/c1-2-3-5-8-6-4-7;1-4-2-6-3-5-1/h7H,2-6H2,1H3;4-6H2.
What are the key properties of 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane?
2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 256.48 g/mol, XLogP of -2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 174848492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).