2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol

C10H18O4 — CID 19373369

IUPAC2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol
SMILESCCCC12COC(CCO)(OC1)OC2
InChIInChI=1S/C10H18O4/c1-2-3-9-6-12-10(4-5-11,13-7-9)14-8-9/h11H,2-8H2,1H3
InChIKeyPPYNLRWAGZEPQN-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol

2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol (PubChem CID 19373369) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol
PubChem CID19373369
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol
SMILESCCCC12COC(CCO)(OC1)OC2
InChIInChI=1S/C10H18O4/c1-2-3-9-6-12-10(4-5-11,13-7-9)14-8-9/h11H,2-8H2,1H3
InChIKeyPPYNLRWAGZEPQN-UHFFFAOYSA-N
XLogP0.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol?
The IUPAC name of 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol (CID 19373369) is 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol.
What is the SMILES notation for 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol?
The canonical SMILES for 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol is CCCC12COC(CCO)(OC1)OC2.
What is the InChIKey of 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol?
The InChIKey is PPYNLRWAGZEPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-9-6-12-10(4-5-11,13-7-9)14-8-9/h11H,2-8H2,1H3.
What are the key properties of 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol?
2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol has a molecular weight of 202.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanol is sourced from PubChem (CID 19373369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).