(1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one

C14H20O6 — CID 101453211

IUPAC(1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one
SMILESCO[C@]12CC[C@](C)(C[C@H]3OC(=O)C[C@H]3/C(O)=C(/O)C1)O2
InChIInChI=1S/C14H20O6/c1-13-3-4-14(18-2,20-13)6-9(15)12(17)8-5-11(16)19-10(8)7-13/h8,10,15,17H,3-7H2,1-2H3/b12-9-/t8-,10-,13-,14+/m1/s1
InChIKeyFKUYMBSKRZONJN-SBKINXDWSA-N
MW284.31 g/mol
LogP1.95
Rot. Bonds1

About (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one

(1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one (PubChem CID 101453211) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one.

Molecular Properties

Compound Name(1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one
PubChem CID101453211
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one
SMILESCO[C@]12CC[C@](C)(C[C@H]3OC(=O)C[C@H]3/C(O)=C(/O)C1)O2
InChIInChI=1S/C14H20O6/c1-13-3-4-14(18-2,20-13)6-9(15)12(17)8-5-11(16)19-10(8)7-13/h8,10,15,17H,3-7H2,1-2H3/b12-9-/t8-,10-,13-,14+/m1/s1
InChIKeyFKUYMBSKRZONJN-SBKINXDWSA-N
XLogP1.95
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one?
The IUPAC name of (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one (CID 101453211) is (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one.
What is the SMILES notation for (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one?
The canonical SMILES for (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one is CO[C@]12CC[C@](C)(C[C@H]3OC(=O)C[C@H]3/C(O)=C(/O)C1)O2.
What is the InChIKey of (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one?
The InChIKey is FKUYMBSKRZONJN-SBKINXDWSA-N. The full InChI is InChI=1S/C14H20O6/c1-13-3-4-14(18-2,20-13)6-9(15)12(17)8-5-11(16)19-10(8)7-13/h8,10,15,17H,3-7H2,1-2H3/b12-9-/t8-,10-,13-,14+/m1/s1.
What are the key properties of (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one?
(1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one has a molecular weight of 284.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7R,8Z,11S)-8,9-dihydroxy-11-methoxy-1-methyl-4,14-dioxatricyclo[9.2.1.03,7]tetradec-8-en-5-one is sourced from PubChem (CID 101453211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).