(1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione

C19H16O5 — CID 71545369

IUPAC(1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
SMILESC=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O
InChIInChI=1S/C19H16O5/c1-2-6-18-17(22)10-7-11(9-23-18)19(18)12(8-10)16(21)15-13(20)4-3-5-14(15)24-19/h2-5,8,10-11,20H,1,6-7,9H2/t10-,11-,18-,19-/m0/s1
InChIKeyWSCCRZWUYZCJAZ-GTXVLXIYSA-N
MW324.33 g/mol
LogP2.20
Rot. Bonds2

About (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione

(1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione (PubChem CID 71545369) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione.

Molecular Properties

Compound Name(1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
PubChem CID71545369
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name(1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
SMILESC=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O
InChIInChI=1S/C19H16O5/c1-2-6-18-17(22)10-7-11(9-23-18)19(18)12(8-10)16(21)15-13(20)4-3-5-14(15)24-19/h2-5,8,10-11,20H,1,6-7,9H2/t10-,11-,18-,19-/m0/s1
InChIKeyWSCCRZWUYZCJAZ-GTXVLXIYSA-N
XLogP2.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione?
The IUPAC name of (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione (CID 71545369) is (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione.
What is the SMILES notation for (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione?
The canonical SMILES for (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione is C=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O.
What is the InChIKey of (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione?
The InChIKey is WSCCRZWUYZCJAZ-GTXVLXIYSA-N. The full InChI is InChI=1S/C19H16O5/c1-2-6-18-17(22)10-7-11(9-23-18)19(18)12(8-10)16(21)15-13(20)4-3-5-14(15)24-19/h2-5,8,10-11,20H,1,6-7,9H2/t10-,11-,18-,19-/m0/s1.
What are the key properties of (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione?
(1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione has a molecular weight of 324.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,13S,15R)-8-hydroxy-15-prop-2-enyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione is sourced from PubChem (CID 71545369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).