2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan

C13H22O — CID 89084659

IUPAC2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan
SMILESCCC1=CC2CCCCCCCC2O1
InChIInChI=1S/C13H22O/c1-2-12-10-11-8-6-4-3-5-7-9-13(11)14-12/h10-11,13H,2-9H2,1H3
InChIKeyUVXPEJSEOUNLEM-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.04
Rot. Bonds1

About 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan

2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan (PubChem CID 89084659) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan.

Molecular Properties

Compound Name2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan
PubChem CID89084659
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan
SMILESCCC1=CC2CCCCCCCC2O1
InChIInChI=1S/C13H22O/c1-2-12-10-11-8-6-4-3-5-7-9-13(11)14-12/h10-11,13H,2-9H2,1H3
InChIKeyUVXPEJSEOUNLEM-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan?
The IUPAC name of 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan (CID 89084659) is 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan.
What is the SMILES notation for 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan?
The canonical SMILES for 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan is CCC1=CC2CCCCCCCC2O1.
What is the InChIKey of 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan?
The InChIKey is UVXPEJSEOUNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-12-10-11-8-6-4-3-5-7-9-13(11)14-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan?
2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan has a molecular weight of 194.32 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[b]furan is sourced from PubChem (CID 89084659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).