(4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione

C10H16O5 — CID 162962850

IUPAC(4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione
SMILESC[C@@H]1C[C@H](O)C(=O)CC[C@H](O)CC(=O)O1
InChIInChI=1S/C10H16O5/c1-6-4-9(13)8(12)3-2-7(11)5-10(14)15-6/h6-7,9,11,13H,2-5H2,1H3/t6-,7+,9+/m1/s1
InChIKeyYVRSFHGCOSYPMO-FJXKBIBVSA-N
MW216.23 g/mol
LogP-0.22
Rot. Bonds

About (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione

(4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione (PubChem CID 162962850) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione.

Molecular Properties

Compound Name(4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione
PubChem CID162962850
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione
SMILESC[C@@H]1C[C@H](O)C(=O)CC[C@H](O)CC(=O)O1
InChIInChI=1S/C10H16O5/c1-6-4-9(13)8(12)3-2-7(11)5-10(14)15-6/h6-7,9,11,13H,2-5H2,1H3/t6-,7+,9+/m1/s1
InChIKeyYVRSFHGCOSYPMO-FJXKBIBVSA-N
XLogP-0.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione?
The IUPAC name of (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione (CID 162962850) is (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione.
What is the SMILES notation for (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione?
The canonical SMILES for (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione is C[C@@H]1C[C@H](O)C(=O)CC[C@H](O)CC(=O)O1.
What is the InChIKey of (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione?
The InChIKey is YVRSFHGCOSYPMO-FJXKBIBVSA-N. The full InChI is InChI=1S/C10H16O5/c1-6-4-9(13)8(12)3-2-7(11)5-10(14)15-6/h6-7,9,11,13H,2-5H2,1H3/t6-,7+,9+/m1/s1.
What are the key properties of (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione?
(4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione has a molecular weight of 216.23 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione is sourced from PubChem (CID 162962850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).