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

C22H38O7 — CID 20743144

IUPAC2-[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
SMILESCCCOCC(COCC(O)C1CCC2OC2C1)OCC(O)C1CCC2OC2C1
InChIInChI=1S/C22H38O7/c1-2-7-25-10-16(27-13-18(24)15-4-6-20-22(9-15)29-20)11-26-12-17(23)14-3-5-19-21(8-14)28-19/h14-24H,2-13H2,1H3
InChIKeyYZKVZQFRWLRWHB-UHFFFAOYSA-N
MW414.54 g/mol
LogP1.67
Rot. Bonds13

About 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

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 (PubChem CID 20743144) has the molecular formula C22H38O7 and a molecular weight of 414.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID20743144
Molecular FormulaC22H38O7
Molecular Weight414.54 g/mol
Exact Mass414.26
IUPAC Name2-[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
SMILESCCCOCC(COCC(O)C1CCC2OC2C1)OCC(O)C1CCC2OC2C1
InChIInChI=1S/C22H38O7/c1-2-7-25-10-16(27-13-18(24)15-4-6-20-22(9-15)29-20)11-26-12-17(23)14-3-5-19-21(8-14)28-19/h14-24H,2-13H2,1H3
InChIKeyYZKVZQFRWLRWHB-UHFFFAOYSA-N
XLogP1.67
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 51.67
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'}

Analyze 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 with MolForge

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Related Compounds

3-[2-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 13627563
3-Methyl-4-[2-[2-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethoxy]ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 20533676
2-[Bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethanol
CID 22266970
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
2-[2-[2-Hydroxy-2-[3-(oxiran-2-yl)cyclohexyl]ethoxy]-3-propoxypropoxy]-1-[3-(oxiran-2-yl)cyclohexyl]ethanol
CID 22946638
3-[2-[2-(7-Oxabicyclo[4.1.0]heptan-3-yl)-1-(oxiran-2-yl)ethoxy]-2-(oxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
CID 54299484
3-[[7-Oxabicyclo[4.1.0]heptan-3-yl(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 57205693
[5-[6-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-7-oxabicyclo[4.1.0]heptan-1-yl]methanol
CID 57574124
1-Methyl-4-[2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethoxy]ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 58785451
1,3-Bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propan-2-ol
CID 58908082
2-Methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol
CID 58908096
2-[3-Ethoxy-2-[2-hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]propoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 59106321

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOCC(COCC(O)C1CCC2OC2C1)OCC(O)C1CCC2OC2C1.
What is the InChIKey of 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?
The InChIKey is YZKVZQFRWLRWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O7/c1-2-7-25-10-16(27-13-18(24)15-4-6-20-22(9-15)29-20)11-26-12-17(23)14-3-5-19-21(8-14)28-19/h14-24H,2-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 414.54 g/mol, XLogP of 1.67, 13 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-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-propoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol is sourced from PubChem (CID 20743144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).