ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran

C16H24O — CID 142129797

IUPACethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
SMILESCC.CCc1ccc2c(c1)C1CCCCC1O2
InChIInChI=1S/C14H18O.C2H6/c1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14;1-2/h7-9,11,13H,2-6H2,1H3;1-2H3
InChIKeyAZKBFCHJUIMFPH-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.69
Rot. Bonds1

About ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran

ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran (PubChem CID 142129797) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran.

Molecular Properties

Compound Nameethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
PubChem CID142129797
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Nameethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
SMILESCC.CCc1ccc2c(c1)C1CCCCC1O2
InChIInChI=1S/C14H18O.C2H6/c1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14;1-2/h7-9,11,13H,2-6H2,1H3;1-2H3
InChIKeyAZKBFCHJUIMFPH-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The IUPAC name of ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran (CID 142129797) is ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran.
What is the SMILES notation for ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The canonical SMILES for ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran is CC.CCc1ccc2c(c1)C1CCCCC1O2.
What is the InChIKey of ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The InChIKey is AZKBFCHJUIMFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.C2H6/c1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14;1-2/h7-9,11,13H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran has a molecular weight of 232.37 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran is sourced from PubChem (CID 142129797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).