(5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one

C10H14O2 — CID 164513797

IUPAC(5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)C[C@]1(CC)C=CC(=O)O1
InChIInChI=1S/C10H14O2/c1-4-10(7-8(2)3)6-5-9(11)12-10/h5-6H,2,4,7H2,1,3H3/t10-/m0/s1
InChIKeyPHNMIUDELGMYAC-JTQLQIEISA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds3

About (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one

(5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one (PubChem CID 164513797) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one
PubChem CID164513797
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)C[C@]1(CC)C=CC(=O)O1
InChIInChI=1S/C10H14O2/c1-4-10(7-8(2)3)6-5-9(11)12-10/h5-6H,2,4,7H2,1,3H3/t10-/m0/s1
InChIKeyPHNMIUDELGMYAC-JTQLQIEISA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
The IUPAC name of (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one (CID 164513797) is (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one.
What is the SMILES notation for (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
The canonical SMILES for (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one is C=C(C)C[C@]1(CC)C=CC(=O)O1.
What is the InChIKey of (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
The InChIKey is PHNMIUDELGMYAC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14O2/c1-4-10(7-8(2)3)6-5-9(11)12-10/h5-6H,2,4,7H2,1,3H3/t10-/m0/s1.
What are the key properties of (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
(5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one is sourced from PubChem (CID 164513797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).