(1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one

C14H14O6 — CID 102199128

IUPAC(1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one
SMILESC[C@]12OC(=O)C[C@H]1[C@H]1Oc3cc(O)cc(O)c3C[C@H]1O2
InChIInChI=1S/C14H14O6/c1-14-8(5-12(17)20-14)13-11(19-14)4-7-9(16)2-6(15)3-10(7)18-13/h2-3,8,11,13,15-16H,4-5H2,1H3/t8-,11+,13+,14-/m0/s1
InChIKeyRPJZMAOHFUQPNM-RHBIEUIISA-N
MW278.26 g/mol
LogP1.08
Rot. Bonds

About (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one

(1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one (PubChem CID 102199128) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one.

Molecular Properties

Compound Name(1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one
PubChem CID102199128
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name(1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one
SMILESC[C@]12OC(=O)C[C@H]1[C@H]1Oc3cc(O)cc(O)c3C[C@H]1O2
InChIInChI=1S/C14H14O6/c1-14-8(5-12(17)20-14)13-11(19-14)4-7-9(16)2-6(15)3-10(7)18-13/h2-3,8,11,13,15-16H,4-5H2,1H3/t8-,11+,13+,14-/m0/s1
InChIKeyRPJZMAOHFUQPNM-RHBIEUIISA-N
XLogP1.08
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one?
The IUPAC name of (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one (CID 102199128) is (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one.
What is the SMILES notation for (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one?
The canonical SMILES for (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one is C[C@]12OC(=O)C[C@H]1[C@H]1Oc3cc(O)cc(O)c3C[C@H]1O2.
What is the InChIKey of (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one?
The InChIKey is RPJZMAOHFUQPNM-RHBIEUIISA-N. The full InChI is InChI=1S/C14H14O6/c1-14-8(5-12(17)20-14)13-11(19-14)4-7-9(16)2-6(15)3-10(7)18-13/h2-3,8,11,13,15-16H,4-5H2,1H3/t8-,11+,13+,14-/m0/s1.
What are the key properties of (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one?
(1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one has a molecular weight of 278.26 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,11S,15S)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one is sourced from PubChem (CID 102199128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).