butane-1,1-diol;2-(2-hydroxyethoxy)ethanol

C8H20O5 — CID 87212260

IUPACbutane-1,1-diol;2-(2-hydroxyethoxy)ethanol
SMILESCCCC(O)O.OCCOCCO
InChIInChI=1S/C4H10O3.C4H10O2/c5-1-3-7-4-2-6;1-2-3-4(5)6/h5-6H,1-4H2;4-6H,2-3H2,1H3
InChIKeyYCIIKXTULLCTFC-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.92
Rot. Bonds6

About butane-1,1-diol;2-(2-hydroxyethoxy)ethanol

butane-1,1-diol;2-(2-hydroxyethoxy)ethanol (PubChem CID 87212260) has the molecular formula C8H20O5 and a molecular weight of 196.24 g/mol. Its IUPAC name is butane-1,1-diol;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namebutane-1,1-diol;2-(2-hydroxyethoxy)ethanol
PubChem CID87212260
Molecular FormulaC8H20O5
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Namebutane-1,1-diol;2-(2-hydroxyethoxy)ethanol
SMILESCCCC(O)O.OCCOCCO
InChIInChI=1S/C4H10O3.C4H10O2/c5-1-3-7-4-2-6;1-2-3-4(5)6/h5-6H,1-4H2;4-6H,2-3H2,1H3
InChIKeyYCIIKXTULLCTFC-UHFFFAOYSA-N
XLogP-0.92
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200
bis(butane-1,1-diol);dihydrochloride
CID 173010024
butane-1,1-diol;hydrate
CID 87459661
butane;butane-1,1-diol
CID 87427051
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
tetrakis(butane-1,1-diol);titanium;dihydrate
CID 168793685
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805

Frequently Asked Questions

What is the IUPAC name of butane-1,1-diol;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of butane-1,1-diol;2-(2-hydroxyethoxy)ethanol (CID 87212260) is butane-1,1-diol;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for butane-1,1-diol;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for butane-1,1-diol;2-(2-hydroxyethoxy)ethanol is CCCC(O)O.OCCOCCO.
What is the InChIKey of butane-1,1-diol;2-(2-hydroxyethoxy)ethanol?
The InChIKey is YCIIKXTULLCTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C4H10O2/c5-1-3-7-4-2-6;1-2-3-4(5)6/h5-6H,1-4H2;4-6H,2-3H2,1H3.
What are the key properties of butane-1,1-diol;2-(2-hydroxyethoxy)ethanol?
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol has a molecular weight of 196.24 g/mol, XLogP of -0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,1-diol;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 87212260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).