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

C15H22O4 — CID 11054613

IUPAC(4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
SMILESCC(C)CC(=O)C[C@](C)(O)CCC(=O)c1ccoc1
InChIInChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3/t15-/m1/s1
InChIKeySUMMQMXACBFGLA-OAHLLOKOSA-N
MW266.34 g/mol
LogP3.00
Rot. Bonds8

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

(4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione (PubChem CID 11054613) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione.

Molecular Properties

Compound Name(4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
PubChem CID11054613
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
SMILESCC(C)CC(=O)C[C@](C)(O)CCC(=O)c1ccoc1
InChIInChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3/t15-/m1/s1
InChIKeySUMMQMXACBFGLA-OAHLLOKOSA-N
XLogP3.00
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione?
The IUPAC name of (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione (CID 11054613) is (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione.
What is the SMILES notation for (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione?
The canonical SMILES for (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione is CC(C)CC(=O)C[C@](C)(O)CCC(=O)c1ccoc1.
What is the InChIKey of (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione?
The InChIKey is SUMMQMXACBFGLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3/t15-/m1/s1.
What are the key properties of (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione?
(4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione has a molecular weight of 266.34 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione is sourced from PubChem (CID 11054613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).