(4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione

C15H22O4 — CID 121494084

IUPAC(4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
SMILESCC(C)C(O)C(=O)C[C@@H](C)CCC(=O)c1ccoc1
InChIInChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3/t11-,15?/m0/s1
InChIKeyHCPDJZNVPUCXHZ-VPHXOMNUSA-N
MW266.34 g/mol
LogP2.85
Rot. Bonds8

About (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione

(4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione (PubChem CID 121494084) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione.

Molecular Properties

Compound Name(4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
PubChem CID121494084
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
SMILESCC(C)C(O)C(=O)C[C@@H](C)CCC(=O)c1ccoc1
InChIInChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3/t11-,15?/m0/s1
InChIKeyHCPDJZNVPUCXHZ-VPHXOMNUSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione?
The IUPAC name of (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione (CID 121494084) is (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione.
What is the SMILES notation for (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione?
The canonical SMILES for (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione is CC(C)C(O)C(=O)C[C@@H](C)CCC(=O)c1ccoc1.
What is the InChIKey of (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione?
The InChIKey is HCPDJZNVPUCXHZ-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3/t11-,15?/m0/s1.
What are the key properties of (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione?
(4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione has a molecular weight of 266.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione is sourced from PubChem (CID 121494084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).