(5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione

C16H18Cl2O5 — CID 640150

IUPAC(5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
SMILESC[C@@H]1CCCCCC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CC(=O)O1
InChIInChI=1S/C16H18Cl2O5/c1-8-5-3-2-4-6-10(19)12-9(7-11(20)23-8)13(17)16(22)14(18)15(12)21/h8,21-22H,2-7H2,1H3/t8-/m1/s1
InChIKeyHGMHEBWWLRPSEC-MRVPVSSYSA-N
MW361.22 g/mol
LogP4.03
Rot. Bonds

About (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione

(5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione (PubChem CID 640150) has the molecular formula C16H18Cl2O5 and a molecular weight of 361.22 g/mol. Its IUPAC name is (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione.

Molecular Properties

Compound Name(5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
PubChem CID640150
Molecular FormulaC16H18Cl2O5
Molecular Weight361.22 g/mol
Exact Mass360.05
IUPAC Name(5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
SMILESC[C@@H]1CCCCCC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CC(=O)O1
InChIInChI=1S/C16H18Cl2O5/c1-8-5-3-2-4-6-10(19)12-9(7-11(20)23-8)13(17)16(22)14(18)15(12)21/h8,21-22H,2-7H2,1H3/t8-/m1/s1
InChIKeyHGMHEBWWLRPSEC-MRVPVSSYSA-N
XLogP4.03
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
The IUPAC name of (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione (CID 640150) is (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione.
What is the SMILES notation for (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
The canonical SMILES for (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione is C[C@@H]1CCCCCC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CC(=O)O1.
What is the InChIKey of (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
The InChIKey is HGMHEBWWLRPSEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H18Cl2O5/c1-8-5-3-2-4-6-10(19)12-9(7-11(20)23-8)13(17)16(22)14(18)15(12)21/h8,21-22H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione?
(5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione has a molecular weight of 361.22 g/mol, XLogP of 4.03, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-14,16-dichloro-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione is sourced from PubChem (CID 640150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).