2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol

C10H18O2 — CID 90023539

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol
SMILESOCCOC1CCC2CCCC21
InChIInChI=1S/C10H18O2/c11-6-7-12-10-5-4-8-2-1-3-9(8)10/h8-11H,1-7H2
InChIKeyZTABTHYSWRANGY-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol

2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol (PubChem CID 90023539) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol
PubChem CID90023539
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol
SMILESOCCOC1CCC2CCCC21
InChIInChI=1S/C10H18O2/c11-6-7-12-10-5-4-8-2-1-3-9(8)10/h8-11H,1-7H2
InChIKeyZTABTHYSWRANGY-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol (CID 90023539) is 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol is OCCOC1CCC2CCCC21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol?
The InChIKey is ZTABTHYSWRANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-6-7-12-10-5-4-8-2-1-3-9(8)10/h8-11H,1-7H2.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol?
2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol is sourced from PubChem (CID 90023539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).