5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran

C40H68O3 — CID 159467229

IUPAC5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran
SMILESCC(C)c1coc(C(C(C)C)C(C)C)c1.CC[C@H](c1cc(C(C)C)co1)C(C)C.Cc1cc(C(C(C)C)C(C)C)oc1C
InChIInChI=1S/C14H24O.2C13H22O/c1-9(2)12-7-13(15-8-12)14(10(3)4)11(5)6;1-8(2)13(9(3)4)12-7-10(5)11(6)14-12;1-6-12(10(4)5)13-7-11(8-14-13)9(2)3/h7-11,14H,1-6H3;7-9,13H,1-6H3;7-10,12H,6H2,1-5H3/t;;12-/m..0/s1
InChIKeyLVIODNGUHVSIIA-SDQIKFKNSA-N
MW596.98 g/mol
LogP13.64
Rot. Bonds11

About 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran

5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran (PubChem CID 159467229) has the molecular formula C40H68O3 and a molecular weight of 596.98 g/mol. Its IUPAC name is 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran.

Molecular Properties

Compound Name5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran
PubChem CID159467229
Molecular FormulaC40H68O3
Molecular Weight596.98 g/mol
Exact Mass596.52
IUPAC Name5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran
SMILESCC(C)c1coc(C(C(C)C)C(C)C)c1.CC[C@H](c1cc(C(C)C)co1)C(C)C.Cc1cc(C(C(C)C)C(C)C)oc1C
InChIInChI=1S/C14H24O.2C13H22O/c1-9(2)12-7-13(15-8-12)14(10(3)4)11(5)6;1-8(2)13(9(3)4)12-7-10(5)11(6)14-12;1-6-12(10(4)5)13-7-11(8-14-13)9(2)3/h7-11,14H,1-6H3;7-9,13H,1-6H3;7-10,12H,6H2,1-5H3/t;;12-/m..0/s1
InChIKeyLVIODNGUHVSIIA-SDQIKFKNSA-N
XLogP13.64
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.98
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran?
The IUPAC name of 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran (CID 159467229) is 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran.
What is the SMILES notation for 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran?
The canonical SMILES for 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran is CC(C)c1coc(C(C(C)C)C(C)C)c1.CC[C@H](c1cc(C(C)C)co1)C(C)C.Cc1cc(C(C(C)C)C(C)C)oc1C.
What is the InChIKey of 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran?
The InChIKey is LVIODNGUHVSIIA-SDQIKFKNSA-N. The full InChI is InChI=1S/C14H24O.2C13H22O/c1-9(2)12-7-13(15-8-12)14(10(3)4)11(5)6;1-8(2)13(9(3)4)12-7-10(5)11(6)14-12;1-6-12(10(4)5)13-7-11(8-14-13)9(2)3/h7-11,14H,1-6H3;7-9,13H,1-6H3;7-10,12H,6H2,1-5H3/t;;12-/m..0/s1.
What are the key properties of 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran?
5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran has a molecular weight of 596.98 g/mol, XLogP of 13.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpentan-3-yl)-2,3-dimethylfuran;2-(2,4-dimethylpentan-3-yl)-4-propan-2-ylfuran;2-[(3S)-2-methylpentan-3-yl]-4-propan-2-ylfuran is sourced from PubChem (CID 159467229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).