(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione

C15H22O3 — CID 11010382

IUPAC(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione
SMILESCC(C)CC(=O)C[C@H](C)CCC(=O)c1ccoc1
InChIInChI=1S/C15H22O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m1/s1
InChIKeyIUEKVLLAZUXWTL-GFCCVEGCSA-N
MW250.34 g/mol
LogP3.88
Rot. Bonds8

About (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione

(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione (PubChem CID 11010382) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione.

Molecular Properties

Compound Name(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione
PubChem CID11010382
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione
SMILESCC(C)CC(=O)C[C@H](C)CCC(=O)c1ccoc1
InChIInChI=1S/C15H22O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m1/s1
InChIKeyIUEKVLLAZUXWTL-GFCCVEGCSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione?
The IUPAC name of (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione (CID 11010382) is (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione.
What is the SMILES notation for (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione?
The canonical SMILES for (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione is CC(C)CC(=O)C[C@H](C)CCC(=O)c1ccoc1.
What is the InChIKey of (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione?
The InChIKey is IUEKVLLAZUXWTL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione?
(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione has a molecular weight of 250.34 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione is sourced from PubChem (CID 11010382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).