ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol

C12H30O6 — CID 87266481

IUPACethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
SMILESCC(O)COC(CO)CCCO.CCO.CCO
InChIInChI=1S/C8H18O4.2C2H6O/c1-7(11)6-12-8(5-10)3-2-4-9;2*1-2-3/h7-11H,2-6H2,1H3;2*3H,2H2,1H3
InChIKeySAHWOTKKATYDIG-UHFFFAOYSA-N
MW270.37 g/mol
LogP-0.49
Rot. Bonds7

About ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol

ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol (PubChem CID 87266481) has the molecular formula C12H30O6 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol.

Molecular Properties

Compound Nameethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
PubChem CID87266481
Molecular FormulaC12H30O6
Molecular Weight270.37 g/mol
Exact Mass270.20
IUPAC Nameethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
SMILESCC(O)COC(CO)CCCO.CCO.CCO
InChIInChI=1S/C8H18O4.2C2H6O/c1-7(11)6-12-8(5-10)3-2-4-9;2*1-2-3/h7-11H,2-6H2,1H3;2*3H,2H2,1H3
InChIKeySAHWOTKKATYDIG-UHFFFAOYSA-N
XLogP-0.49
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol
CID 91141504
2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol
CID 171403130
1-heptan-4-yloxypropan-2-ol
CID 140681787
2-[2-hydroxy-3-(1-hydroxydodecan-2-yloxy)propoxy]dodecan-1-ol
CID 10411951
2-[2-hydroxy-3-(1-hydroxyhexadecan-2-yloxy)propoxy]hexadecan-1-ol
CID 10415697
4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol
CID 22467714
7-(2-hydroxypropoxy)-2,2,4-trimethyloctane-1,3,8-triol
CID 19598171
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid
CID 87896935
2-(3-hydroxypropoxy)pentan-1-ol
CID 150485791
1-(2-hydroxypropoxy)ethane-1,2-diol
CID 54202578
1-[1-(2-docosoxyethoxy)pentacosan-2-yloxy]propan-2-ol
CID 169296789

Frequently Asked Questions

What is the IUPAC name of ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol?
The IUPAC name of ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol (CID 87266481) is ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol.
What is the SMILES notation for ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol?
The canonical SMILES for ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol is CC(O)COC(CO)CCCO.CCO.CCO.
What is the InChIKey of ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol?
The InChIKey is SAHWOTKKATYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4.2C2H6O/c1-7(11)6-12-8(5-10)3-2-4-9;2*1-2-3/h7-11H,2-6H2,1H3;2*3H,2H2,1H3.
What are the key properties of ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol?
ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol has a molecular weight of 270.37 g/mol, XLogP of -0.49, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol is sourced from PubChem (CID 87266481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).