14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione

C16H18O7 — CID 163149872

IUPAC14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione
SMILESCC1CC(=O)Cc2cc(O)cc(O)c2C(=O)OC(C)CC(=O)O1
InChIInChI=1S/C16H18O7/c1-8-3-11(17)5-10-6-12(18)7-13(19)15(10)16(21)23-9(2)4-14(20)22-8/h6-9,18-19H,3-5H2,1-2H3
InChIKeyMXVPKZLJHGRLDD-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.48
Rot. Bonds

About 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione

14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione (PubChem CID 163149872) has the molecular formula C16H18O7 and a molecular weight of 322.31 g/mol. Its IUPAC name is 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione.

Molecular Properties

Compound Name14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione
PubChem CID163149872
Molecular FormulaC16H18O7
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione
SMILESCC1CC(=O)Cc2cc(O)cc(O)c2C(=O)OC(C)CC(=O)O1
InChIInChI=1S/C16H18O7/c1-8-3-11(17)5-10-6-12(18)7-13(19)15(10)16(21)23-9(2)4-14(20)22-8/h6-9,18-19H,3-5H2,1-2H3
InChIKeyMXVPKZLJHGRLDD-UHFFFAOYSA-N
XLogP1.48
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione?
The IUPAC name of 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione (CID 163149872) is 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione.
What is the SMILES notation for 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione?
The canonical SMILES for 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione is CC1CC(=O)Cc2cc(O)cc(O)c2C(=O)OC(C)CC(=O)O1.
What is the InChIKey of 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione?
The InChIKey is MXVPKZLJHGRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O7/c1-8-3-11(17)5-10-6-12(18)7-13(19)15(10)16(21)23-9(2)4-14(20)22-8/h6-9,18-19H,3-5H2,1-2H3.
What are the key properties of 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione?
14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione has a molecular weight of 322.31 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione is sourced from PubChem (CID 163149872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).