2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol

C11H20O5 — CID 158558957

IUPAC2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol
SMILESC#CCOCCOCC(CO)OC(C)CO
InChIInChI=1S/C11H20O5/c1-3-4-14-5-6-15-9-11(8-13)16-10(2)7-12/h1,10-13H,4-9H2,2H3
InChIKeyHQQJCGHRHDBKHG-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.59
Rot. Bonds10

About 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol

2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol (PubChem CID 158558957) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol
PubChem CID158558957
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol
SMILESC#CCOCCOCC(CO)OC(C)CO
InChIInChI=1S/C11H20O5/c1-3-4-14-5-6-15-9-11(8-13)16-10(2)7-12/h1,10-13H,4-9H2,2H3
InChIKeyHQQJCGHRHDBKHG-UHFFFAOYSA-N
XLogP-0.59
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
CID 54551679
2-prop-2-ynoxypropan-1-ol
CID 12951375
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
2-[2,3-bis(1-hydroxypropan-2-yloxy)propoxy]propan-1-ol
CID 59464535
2-methyl-1-prop-2-ynoxypropane
CID 57470525
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine
CID 171638343
1-pentoxy-3-prop-2-ynoxypropan-2-ol
CID 53428013
(2S)-3-hydroxy-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanal
CID 176837340
1-(2-heptadecoxy-3-prop-2-ynoxypropoxy)heptadecane
CID 101354147

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol (CID 158558957) is 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol is C#CCOCCOCC(CO)OC(C)CO.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol?
The InChIKey is HQQJCGHRHDBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-4-14-5-6-15-9-11(8-13)16-10(2)7-12/h1,10-13H,4-9H2,2H3.
What are the key properties of 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol?
2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol has a molecular weight of 232.28 g/mol, XLogP of -0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol is sourced from PubChem (CID 158558957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).