(5R)-3,4,5-trimethyl-5-pentylfuran-2-one

C12H20O2 — CID 102465810

IUPAC(5R)-3,4,5-trimethyl-5-pentylfuran-2-one
SMILESCCCCC[C@@]1(C)OC(=O)C(C)=C1C
InChIInChI=1S/C12H20O2/c1-5-6-7-8-12(4)10(3)9(2)11(13)14-12/h5-8H2,1-4H3/t12-/m1/s1
InChIKeyZQHNFAIHBGTIMX-GFCCVEGCSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds4

About (5R)-3,4,5-trimethyl-5-pentylfuran-2-one

(5R)-3,4,5-trimethyl-5-pentylfuran-2-one (PubChem CID 102465810) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5R)-3,4,5-trimethyl-5-pentylfuran-2-one.

Molecular Properties

Compound Name(5R)-3,4,5-trimethyl-5-pentylfuran-2-one
PubChem CID102465810
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5R)-3,4,5-trimethyl-5-pentylfuran-2-one
SMILESCCCCC[C@@]1(C)OC(=O)C(C)=C1C
InChIInChI=1S/C12H20O2/c1-5-6-7-8-12(4)10(3)9(2)11(13)14-12/h5-8H2,1-4H3/t12-/m1/s1
InChIKeyZQHNFAIHBGTIMX-GFCCVEGCSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
3-decyl-3-methyl-2-benzofuran-1-one
CID 139663911
5-hexyl-3,5-dimethylfuran-2-one
CID 11106283
2-methyl-5-methylidene-2-pentyl-1,3-dioxane-4,6-dione
CID 139694646
3-[(E)-but-2-enoyl]-5-hexyl-4-methoxy-5-methylfuran-2-one
CID 5375453
2,2,5-trimethyl-5-pentyl-1,3-dioxane-4,6-dione
CID 129229049
5-(2-hydroxyethyl)-2-methyl-2-tetradecylfuran-3-one
CID 139585859
sodium 5-hexyl-5-methyl-4-oxo-1,3-oxazol-2-olate
CID 23686616
5-butyl-3-hydroxy-5-methyl-4-(4-methylphenyl)furan-2-one
CID 102440770
5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione
CID 139694653
2-dodecyl-5-(2-methoxyethyl)-2-methylfuran-3-one
CID 56590259

Frequently Asked Questions

What is the IUPAC name of (5R)-3,4,5-trimethyl-5-pentylfuran-2-one?
The IUPAC name of (5R)-3,4,5-trimethyl-5-pentylfuran-2-one (CID 102465810) is (5R)-3,4,5-trimethyl-5-pentylfuran-2-one.
What is the SMILES notation for (5R)-3,4,5-trimethyl-5-pentylfuran-2-one?
The canonical SMILES for (5R)-3,4,5-trimethyl-5-pentylfuran-2-one is CCCCC[C@@]1(C)OC(=O)C(C)=C1C.
What is the InChIKey of (5R)-3,4,5-trimethyl-5-pentylfuran-2-one?
The InChIKey is ZQHNFAIHBGTIMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-6-7-8-12(4)10(3)9(2)11(13)14-12/h5-8H2,1-4H3/t12-/m1/s1.
What are the key properties of (5R)-3,4,5-trimethyl-5-pentylfuran-2-one?
(5R)-3,4,5-trimethyl-5-pentylfuran-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,4,5-trimethyl-5-pentylfuran-2-one is sourced from PubChem (CID 102465810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).