(1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione

C20H24O5 — CID 71740941

IUPAC(1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione
SMILESC/C1=C/[C@]23O[C@H]2[C@H](C)C=C3C(=O)[C@@](C)(O)C(=O)CC(C)(C)/C=C/C1=O
InChIInChI=1S/C20H24O5/c1-11-8-13-16(23)19(5,24)15(22)10-18(3,4)7-6-14(21)12(2)9-20(13)17(11)25-20/h6-9,11,17,24H,10H2,1-5H3/b7-6+,12-9-/t11-,17+,19+,20-/m1/s1
InChIKeyFIRDPUAWQIZLCV-YGZJLGPDSA-N
MW344.41 g/mol
LogP2.09
Rot. Bonds

About (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione

(1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione (PubChem CID 71740941) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione.

Molecular Properties

Compound Name(1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione
PubChem CID71740941
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione
SMILESC/C1=C/[C@]23O[C@H]2[C@H](C)C=C3C(=O)[C@@](C)(O)C(=O)CC(C)(C)/C=C/C1=O
InChIInChI=1S/C20H24O5/c1-11-8-13-16(23)19(5,24)15(22)10-18(3,4)7-6-14(21)12(2)9-20(13)17(11)25-20/h6-9,11,17,24H,10H2,1-5H3/b7-6+,12-9-/t11-,17+,19+,20-/m1/s1
InChIKeyFIRDPUAWQIZLCV-YGZJLGPDSA-N
XLogP2.09
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione?
The IUPAC name of (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione (CID 71740941) is (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione.
What is the SMILES notation for (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione?
The canonical SMILES for (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione is C/C1=C/[C@]23O[C@H]2[C@H](C)C=C3C(=O)[C@@](C)(O)C(=O)CC(C)(C)/C=C/C1=O.
What is the InChIKey of (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione?
The InChIKey is FIRDPUAWQIZLCV-YGZJLGPDSA-N. The full InChI is InChI=1S/C20H24O5/c1-11-8-13-16(23)19(5,24)15(22)10-18(3,4)7-6-14(21)12(2)9-20(13)17(11)25-20/h6-9,11,17,24H,10H2,1-5H3/b7-6+,12-9-/t11-,17+,19+,20-/m1/s1.
What are the key properties of (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione?
(1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione has a molecular weight of 344.41 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,5E,10S,14R,15S)-10-hydroxy-3,7,7,10,14-pentamethyl-16-oxatricyclo[10.4.0.01,15]hexadeca-2,5,12-triene-4,9,11-trione is sourced from PubChem (CID 71740941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).