(8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione

C16H26O6 — CID 139585575

IUPAC(8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione
SMILESC[C@@H]1CCC(O)CCC(=O)O[C@H](C)CC[C@@H](O)C=CC(=O)O1
InChIInChI=1S/C16H26O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7,9,11-14,17-18H,3-6,8,10H2,1-2H3/t11-,12-,13?,14-/m1/s1
InChIKeySLMOZXAOZSMPIZ-MVWAYNQESA-N
MW314.38 g/mol
LogP1.48
Rot. Bonds

About (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione

(8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione (PubChem CID 139585575) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione.

Molecular Properties

Compound Name(8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione
PubChem CID139585575
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name(8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione
SMILESC[C@@H]1CCC(O)CCC(=O)O[C@H](C)CC[C@@H](O)C=CC(=O)O1
InChIInChI=1S/C16H26O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7,9,11-14,17-18H,3-6,8,10H2,1-2H3/t11-,12-,13?,14-/m1/s1
InChIKeySLMOZXAOZSMPIZ-MVWAYNQESA-N
XLogP1.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione?
The IUPAC name of (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione (CID 139585575) is (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione.
What is the SMILES notation for (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione?
The canonical SMILES for (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione is C[C@@H]1CCC(O)CCC(=O)O[C@H](C)CC[C@@H](O)C=CC(=O)O1.
What is the InChIKey of (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione?
The InChIKey is SLMOZXAOZSMPIZ-MVWAYNQESA-N. The full InChI is InChI=1S/C16H26O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h7,9,11-14,17-18H,3-6,8,10H2,1-2H3/t11-,12-,13?,14-/m1/s1.
What are the key properties of (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione?
(8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione has a molecular weight of 314.38 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,13R,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,10-dione is sourced from PubChem (CID 139585575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).