ethane;3-ethyl-4-methyl-2,5-dihydrofuran

C9H18O — CID 172593077

IUPACethane;3-ethyl-4-methyl-2,5-dihydrofuran
SMILESCC.CCC1=C(C)COC1
InChIInChI=1S/C7H12O.C2H6/c1-3-7-5-8-4-6(7)2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyDOFYZLRTDASADU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds1

About ethane;3-ethyl-4-methyl-2,5-dihydrofuran

ethane;3-ethyl-4-methyl-2,5-dihydrofuran (PubChem CID 172593077) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is ethane;3-ethyl-4-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Nameethane;3-ethyl-4-methyl-2,5-dihydrofuran
PubChem CID172593077
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nameethane;3-ethyl-4-methyl-2,5-dihydrofuran
SMILESCC.CCC1=C(C)COC1
InChIInChI=1S/C7H12O.C2H6/c1-3-7-5-8-4-6(7)2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyDOFYZLRTDASADU-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-2,5-dihydrofuran
CID 15825450
Borane, diethyl[1-ethyl-2-(methoxymethyl)-1-butenyl]-, (Z)-
CID 5366257
(Z)-1-ethoxy-3-methylpent-2-ene
CID 14939545
4,5-dimethyl-3,6-dihydro-2H-pyran
CID 21354354
2,2,3,4-Tetraethyl-1-methyl-1-oxonia-2-boranuidacyclopent-3-ene
CID 134903557
diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane
CID 134903619
2,2,3-Triethyl-1,4-dimethyl-1-oxonia-2-boranuidacyclopent-3-ene
CID 134978630
1-Butoxy-2,4-dimethyl-2-pentene
CID 5366210
diethyl-[(E)-4-(methoxymethyl)hex-3-en-3-yl]borane
CID 101279186
4-Methoxy-2,3-dimethylpent-2-ene
CID 21134687
2,3,4,5-Tetraethyl-2,5-dihydrofuran
CID 22165884
2,3,4,5,5-pentamethyl-2H-furan
CID 22910011

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4-methyl-2,5-dihydrofuran?
The IUPAC name of ethane;3-ethyl-4-methyl-2,5-dihydrofuran (CID 172593077) is ethane;3-ethyl-4-methyl-2,5-dihydrofuran.
What is the SMILES notation for ethane;3-ethyl-4-methyl-2,5-dihydrofuran?
The canonical SMILES for ethane;3-ethyl-4-methyl-2,5-dihydrofuran is CC.CCC1=C(C)COC1.
What is the InChIKey of ethane;3-ethyl-4-methyl-2,5-dihydrofuran?
The InChIKey is DOFYZLRTDASADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-3-7-5-8-4-6(7)2;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-4-methyl-2,5-dihydrofuran?
ethane;3-ethyl-4-methyl-2,5-dihydrofuran has a molecular weight of 142.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4-methyl-2,5-dihydrofuran is sourced from PubChem (CID 172593077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).