ethane;3-ethylfuran;formaldehyde

C9H16O2 — CID 143985249

IUPACethane;3-ethylfuran;formaldehyde
SMILESC=O.CC.CCc1ccoc1
InChIInChI=1S/C6H8O.C2H6.CH2O/c1-2-6-3-4-7-5-6;2*1-2/h3-5H,2H2,1H3;1-2H3;1H2
InChIKeyHIRREYRGJGVHID-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.68
Rot. Bonds1

About ethane;3-ethylfuran;formaldehyde

ethane;3-ethylfuran;formaldehyde (PubChem CID 143985249) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is ethane;3-ethylfuran;formaldehyde.

Molecular Properties

Compound Nameethane;3-ethylfuran;formaldehyde
PubChem CID143985249
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nameethane;3-ethylfuran;formaldehyde
SMILESC=O.CC.CCc1ccoc1
InChIInChI=1S/C6H8O.C2H6.CH2O/c1-2-6-3-4-7-5-6;2*1-2/h3-5H,2H2,1H3;1-2H3;1H2
InChIKeyHIRREYRGJGVHID-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylfuran;methanol
CID 174626479
3-ethylfuran;3-ethyl-2-methylfuran
CID 143642378
3-(ethoxymethyl)furan
CID 59154839
3-octylfuran
CID 12700162
3-undecylfuran
CID 13123134
furan-3-ylmethyl-methyl-methylidene-λ4-sulfane
CID 123544669
N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine
CID 64681981
N-(furan-3-ylmethyl)methanimine
CID 154530628
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
1-(furan-3-yl)butan-2-ol
CID 83171486
3-(furan-3-yl)-2,2-dimethylpropanenitrile
CID 83182126
acetic acid;3-(chloromethyl)furan
CID 174487310

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylfuran;formaldehyde?
The IUPAC name of ethane;3-ethylfuran;formaldehyde (CID 143985249) is ethane;3-ethylfuran;formaldehyde.
What is the SMILES notation for ethane;3-ethylfuran;formaldehyde?
The canonical SMILES for ethane;3-ethylfuran;formaldehyde is C=O.CC.CCc1ccoc1.
What is the InChIKey of ethane;3-ethylfuran;formaldehyde?
The InChIKey is HIRREYRGJGVHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C2H6.CH2O/c1-2-6-3-4-7-5-6;2*1-2/h3-5H,2H2,1H3;1-2H3;1H2.
What are the key properties of ethane;3-ethylfuran;formaldehyde?
ethane;3-ethylfuran;formaldehyde has a molecular weight of 156.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylfuran;formaldehyde is sourced from PubChem (CID 143985249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).