2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane

C12H33NO7Si — CID 87115503

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane
SMILESC[Si](C)(O)O.OCCCCO.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H10O2.C2H8O2Si/c8-4-1-7(2-5-9)3-6-10;5-3-1-2-4-6;1-5(2,3)4/h8-10H,1-6H2;5-6H,1-4H2;3-4H,1-2H3
InChIKeyDUCCQKSKYOCIIE-UHFFFAOYSA-N
MW331.48 g/mol
LogP-2.31
Rot. Bonds9

About 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane

2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane (PubChem CID 87115503) has the molecular formula C12H33NO7Si and a molecular weight of 331.48 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane
PubChem CID87115503
Molecular FormulaC12H33NO7Si
Molecular Weight331.48 g/mol
Exact Mass331.20
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane
SMILESC[Si](C)(O)O.OCCCCO.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H10O2.C2H8O2Si/c8-4-1-7(2-5-9)3-6-10;5-3-1-2-4-6;1-5(2,3)4/h8-10H,1-6H2;5-6H,1-4H2;3-4H,1-2H3
InChIKeyDUCCQKSKYOCIIE-UHFFFAOYSA-N
XLogP-2.31
TPSA144.85 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 5-2.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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

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2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
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CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
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2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis[2-(diethylamino)ethyl]amino]ethanol
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4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate
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2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane (CID 87115503) is 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane is C[Si](C)(O)O.OCCCCO.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane?
The InChIKey is DUCCQKSKYOCIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C4H10O2.C2H8O2Si/c8-4-1-7(2-5-9)3-6-10;5-3-1-2-4-6;1-5(2,3)4/h8-10H,1-6H2;5-6H,1-4H2;3-4H,1-2H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane?
2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane has a molecular weight of 331.48 g/mol, XLogP of -2.31, 9 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;butane-1,4-diol;dihydroxy(dimethyl)silane is sourced from PubChem (CID 87115503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).