2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol

C8H14O3 — CID 54175328

IUPAC2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol
SMILESOCCC1OCC2CCC1O2
InChIInChI=1S/C8H14O3/c9-4-3-7-8-2-1-6(11-8)5-10-7/h6-9H,1-5H2
InChIKeyOXXLYLAFPJGMFQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.32
Rot. Bonds2

About 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol

2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol (PubChem CID 54175328) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol
PubChem CID54175328
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol
SMILESOCCC1OCC2CCC1O2
InChIInChI=1S/C8H14O3/c9-4-3-7-8-2-1-6(11-8)5-10-7/h6-9H,1-5H2
InChIKeyOXXLYLAFPJGMFQ-UHFFFAOYSA-N
XLogP0.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol?
The IUPAC name of 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol (CID 54175328) is 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol.
What is the SMILES notation for 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol?
The canonical SMILES for 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol is OCCC1OCC2CCC1O2.
What is the InChIKey of 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol?
The InChIKey is OXXLYLAFPJGMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-4-3-7-8-2-1-6(11-8)5-10-7/h6-9H,1-5H2.
What are the key properties of 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol?
2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol has a molecular weight of 158.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dioxabicyclo[3.2.1]octan-2-yl)ethanol is sourced from PubChem (CID 54175328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).