2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol

C14H32O8S — CID 6455521

IUPAC2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOCC(O)CO.OCCOCCO.OCCSCCO
InChIInChI=1S/C6H12O3.C4H10O3.C4H10O2S/c1-2-3-9-5-6(8)4-7;2*5-1-3-7-4-2-6/h2,6-8H,1,3-5H2;2*5-6H,1-4H2
InChIKeyPHDAYALFAKWKBR-UHFFFAOYSA-N
MW360.47 g/mol
LogP-1.77
Rot. Bonds13

About 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol

2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol (PubChem CID 6455521) has the molecular formula C14H32O8S and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol
PubChem CID6455521
Molecular FormulaC14H32O8S
Molecular Weight360.47 g/mol
Exact Mass360.18
IUPAC Name2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOCC(O)CO.OCCOCCO.OCCSCCO
InChIInChI=1S/C6H12O3.C4H10O3.C4H10O2S/c1-2-3-9-5-6(8)4-7;2*5-1-3-7-4-2-6/h2,6-8H,1,3-5H2;2*5-6H,1-4H2
InChIKeyPHDAYALFAKWKBR-UHFFFAOYSA-N
XLogP-1.77
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.47
LogP ≤ 5-1.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
CID 172513857
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
CID 154701098
CID 154701098
2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol
CID 161125126
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol (CID 6455521) is 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol is C=CCOCC(O)CO.OCCOCCO.OCCSCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol?
The InChIKey is PHDAYALFAKWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H10O3.C4H10O2S/c1-2-3-9-5-6(8)4-7;2*5-1-3-7-4-2-6/h2,6-8H,1,3-5H2;2*5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol?
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol has a molecular weight of 360.47 g/mol, XLogP of -1.77, 13 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol is sourced from PubChem (CID 6455521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).