(5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

C16H24O6 — CID 139584743

IUPAC(5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESC[C@@H]1CC[C@@H](O)C=CC(=O)O[C@H](C)CC(O)CC=CC(=O)O1
InChIInChI=1S/C16H24O6/c1-11-6-7-13(17)8-9-16(20)22-12(2)10-14(18)4-3-5-15(19)21-11/h3,5,8-9,11-14,17-18H,4,6-7,10H2,1-2H3/t11-,12-,13-,14?/m1/s1
InChIKeyPSCNDCPGXQLFJQ-ZHZAVPAVSA-N
MW312.36 g/mol
LogP1.26
Rot. Bonds

About (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

(5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (PubChem CID 139584743) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.

Molecular Properties

Compound Name(5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
PubChem CID139584743
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESC[C@@H]1CC[C@@H](O)C=CC(=O)O[C@H](C)CC(O)CC=CC(=O)O1
InChIInChI=1S/C16H24O6/c1-11-6-7-13(17)8-9-16(20)22-12(2)10-14(18)4-3-5-15(19)21-11/h3,5,8-9,11-14,17-18H,4,6-7,10H2,1-2H3/t11-,12-,13-,14?/m1/s1
InChIKeyPSCNDCPGXQLFJQ-ZHZAVPAVSA-N
XLogP1.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The IUPAC name of (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (CID 139584743) is (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.
What is the SMILES notation for (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The canonical SMILES for (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is C[C@@H]1CC[C@@H](O)C=CC(=O)O[C@H](C)CC(O)CC=CC(=O)O1.
What is the InChIKey of (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The InChIKey is PSCNDCPGXQLFJQ-ZHZAVPAVSA-N. The full InChI is InChI=1S/C16H24O6/c1-11-6-7-13(17)8-9-16(20)22-12(2)10-14(18)4-3-5-15(19)21-11/h3,5,8-9,11-14,17-18H,4,6-7,10H2,1-2H3/t11-,12-,13-,14?/m1/s1.
What are the key properties of (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
(5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione has a molecular weight of 312.36 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is sourced from PubChem (CID 139584743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).