ethane;4-methyl-5-methylidenefuran-2-one

C8H12O2 — CID 162436197

IUPACethane;4-methyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1C.CC
InChIInChI=1S/C6H6O2.C2H6/c1-4-3-6(7)8-5(4)2;1-2/h3H,2H2,1H3;1-2H3
InChIKeyHEUDHHRRBJRRMK-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.03
Rot. Bonds

About ethane;4-methyl-5-methylidenefuran-2-one

ethane;4-methyl-5-methylidenefuran-2-one (PubChem CID 162436197) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethane;4-methyl-5-methylidenefuran-2-one.

Molecular Properties

Compound Nameethane;4-methyl-5-methylidenefuran-2-one
PubChem CID162436197
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethane;4-methyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1C.CC
InChIInChI=1S/C6H6O2.C2H6/c1-4-3-6(7)8-5(4)2;1-2/h3H,2H2,1H3;1-2H3
InChIKeyHEUDHHRRBJRRMK-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-methylidenefuran-2-one?
The IUPAC name of ethane;4-methyl-5-methylidenefuran-2-one (CID 162436197) is ethane;4-methyl-5-methylidenefuran-2-one.
What is the SMILES notation for ethane;4-methyl-5-methylidenefuran-2-one?
The canonical SMILES for ethane;4-methyl-5-methylidenefuran-2-one is C=C1OC(=O)C=C1C.CC.
What is the InChIKey of ethane;4-methyl-5-methylidenefuran-2-one?
The InChIKey is HEUDHHRRBJRRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2H6/c1-4-3-6(7)8-5(4)2;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-5-methylidenefuran-2-one?
ethane;4-methyl-5-methylidenefuran-2-one has a molecular weight of 140.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-methylidenefuran-2-one is sourced from PubChem (CID 162436197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).