2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol

C26H46O7 — CID 22946638

IUPAC2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol
SMILESCCCOCC(COCC(O)C1CCCC(C2CO2)C1)OCC(O)C1CCCC(C2CO2)C1
InChIInChI=1S/C26H46O7/c1-2-9-29-12-22(31-15-24(28)19-6-4-8-21(11-19)26-17-33-26)13-30-14-23(27)18-5-3-7-20(10-18)25-16-32-25/h18-28H,2-17H2,1H3
InChIKeyJDOGZSWKLOOTSL-UHFFFAOYSA-N
MW470.65 g/mol
LogP2.95
Rot. Bonds15

About 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol

2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol (PubChem CID 22946638) has the molecular formula C26H46O7 and a molecular weight of 470.65 g/mol. Its IUPAC name is 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol
PubChem CID22946638
Molecular FormulaC26H46O7
Molecular Weight470.65 g/mol
Exact Mass470.32
IUPAC Name2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol
SMILESCCCOCC(COCC(O)C1CCCC(C2CO2)C1)OCC(O)C1CCCC(C2CO2)C1
InChIInChI=1S/C26H46O7/c1-2-9-29-12-22(31-15-24(28)19-6-4-8-21(11-19)26-17-33-26)13-30-14-23(27)18-5-3-7-20(10-18)25-16-32-25/h18-28H,2-17H2,1H3
InChIKeyJDOGZSWKLOOTSL-UHFFFAOYSA-N
XLogP2.95
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-Hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22644384
1,3-Bis[[1,1,1,3,3,3-hexafluoro-2-[3-[1,1,1,3,3,3-hexafluoro-2-(oxiran-2-ylmethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxy]propan-2-ol
CID 140432164
2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecoxy)-2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]propoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol
CID 145829961
3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol
CID 11046603
3-[(2S,3R)-2-(methoxymethyl)-3-[[(2S,3R)-2-(methoxymethyl)-3-[[(2S)-2-(methoxymethyl)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propan-1-ol
CID 134865685
2-(Oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol
CID 18794986
2-[2-[2-Hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-propoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 20743144
4-[(4-Hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22644383
(2R,3R,4R,5R)-6-[3-octyl-1-(oxiran-2-yl)tridecoxy]hexane-1,2,3,4,5-pentol
CID 22854256
2-[2-[2-Hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-methoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 22889668
1,3-Bis[2-[4-[2-(oxiran-2-ylmethoxy)propan-2-yl]cyclohexyl]propan-2-yloxy]propan-2-ol
CID 23530382
1,3-Bis[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol
CID 58734338

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol?
The IUPAC name of 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol (CID 22946638) is 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol?
The canonical SMILES for 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol is CCCOCC(COCC(O)C1CCCC(C2CO2)C1)OCC(O)C1CCCC(C2CO2)C1.
What is the InChIKey of 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol?
The InChIKey is JDOGZSWKLOOTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O7/c1-2-9-29-12-22(31-15-24(28)19-6-4-8-21(11-19)26-17-33-26)13-30-14-23(27)18-5-3-7-20(10-18)25-16-32-25/h18-28H,2-17H2,1H3.
What are the key properties of 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol?
2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol has a molecular weight of 470.65 g/mol, XLogP of 2.95, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol is sourced from PubChem (CID 22946638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).