(5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one

C17H20O2 — CID 164513817

IUPAC(5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)C[C@]1(CC)C=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C17H20O2/c1-4-17(11-13(2)3)12-15(16(18)19-17)10-14-8-6-5-7-9-14/h5-9,12H,2,4,10-11H2,1,3H3/t17-/m1/s1
InChIKeyIHQFWFXZLDICDR-QGZVFWFLSA-N
MW256.34 g/mol
LogP3.83
Rot. Bonds5

About (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one

(5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one (PubChem CID 164513817) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one.

Molecular Properties

Compound Name(5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one
PubChem CID164513817
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one
SMILESC=C(C)C[C@]1(CC)C=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C17H20O2/c1-4-17(11-13(2)3)12-15(16(18)19-17)10-14-8-6-5-7-9-14/h5-9,12H,2,4,10-11H2,1,3H3/t17-/m1/s1
InChIKeyIHQFWFXZLDICDR-QGZVFWFLSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
CID 10778014
4-benzyl-3-methyl-4-(2-methylprop-2-enyl)-1,2-oxazol-5-one
CID 102346983
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
phenyl(113C)methylbenzene
CID 11194569
benzyl 2-methylprop-2-enoate;butane
CID 174907722
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
alumane;3-benzylpentan-2-one
CID 174773852
butane-2,3-dione;ethylbenzene
CID 174875574
(2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione
CID 169225490
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
2-(3-ethyl-1,4-dioxoisochromen-3-yl)prop-2-enoic acid
CID 18974183

Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
The IUPAC name of (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one (CID 164513817) is (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one.
What is the SMILES notation for (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
The canonical SMILES for (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one is C=C(C)C[C@]1(CC)C=C(Cc2ccccc2)C(=O)O1.
What is the InChIKey of (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
The InChIKey is IHQFWFXZLDICDR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20O2/c1-4-17(11-13(2)3)12-15(16(18)19-17)10-14-8-6-5-7-9-14/h5-9,12H,2,4,10-11H2,1,3H3/t17-/m1/s1.
What are the key properties of (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one?
(5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one has a molecular weight of 256.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-5-ethyl-5-(2-methylprop-2-enyl)furan-2-one is sourced from PubChem (CID 164513817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).