ethane;5-ethyl-3-methyl-2-propan-2-ylfuran

C12H22O — CID 155737661

IUPACethane;5-ethyl-3-methyl-2-propan-2-ylfuran
SMILESCC.CCc1cc(C)c(C(C)C)o1
InChIInChI=1S/C10H16O.C2H6/c1-5-9-6-8(4)10(11-9)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyJFXVOJJIFKUBJI-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.30
Rot. Bonds2

About ethane;5-ethyl-3-methyl-2-propan-2-ylfuran

ethane;5-ethyl-3-methyl-2-propan-2-ylfuran (PubChem CID 155737661) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;5-ethyl-3-methyl-2-propan-2-ylfuran.

Molecular Properties

Compound Nameethane;5-ethyl-3-methyl-2-propan-2-ylfuran
PubChem CID155737661
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Nameethane;5-ethyl-3-methyl-2-propan-2-ylfuran
SMILESCC.CCc1cc(C)c(C(C)C)o1
InChIInChI=1S/C10H16O.C2H6/c1-5-9-6-8(4)10(11-9)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
InChIKeyJFXVOJJIFKUBJI-UHFFFAOYSA-N
XLogP4.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diethyl-2-propan-2-ylfuran
CID 155737592
2,5-diethyl-3-propan-2-ylfuran
CID 150761031
3,5-diethyl-2-methylfuran;ethane
CID 143641869
6-ethyl-2-propan-2-ylfuro[3,2-f][1]benzofuran
CID 70831990
(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane
CID 142883277
propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate
CID 139747350
5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
CID 91385556
[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine
CID 62445439
(2S)-N-[(4,5-dimethylfuran-2-yl)methyl]butan-2-amine
CID 142079023
N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114375532
1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
(4,5-dimethylfuran-2-yl)methanamine;ethane
CID 142883143

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-methyl-2-propan-2-ylfuran?
The IUPAC name of ethane;5-ethyl-3-methyl-2-propan-2-ylfuran (CID 155737661) is ethane;5-ethyl-3-methyl-2-propan-2-ylfuran.
What is the SMILES notation for ethane;5-ethyl-3-methyl-2-propan-2-ylfuran?
The canonical SMILES for ethane;5-ethyl-3-methyl-2-propan-2-ylfuran is CC.CCc1cc(C)c(C(C)C)o1.
What is the InChIKey of ethane;5-ethyl-3-methyl-2-propan-2-ylfuran?
The InChIKey is JFXVOJJIFKUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C2H6/c1-5-9-6-8(4)10(11-9)7(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;5-ethyl-3-methyl-2-propan-2-ylfuran?
ethane;5-ethyl-3-methyl-2-propan-2-ylfuran has a molecular weight of 182.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-methyl-2-propan-2-ylfuran is sourced from PubChem (CID 155737661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).