Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)

C23H32O5 — CID 10362854

IUPAC—
SMILESCC[C@]12CC(=O)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C23H32O5/c1-2-21-14-19(24)20-16-5-7-22(25-9-10-26-22)13-15(16)3-4-17(20)18(21)6-8-23(21)27-11-12-28-23/h3,16-18,20H,2,4-14H2,1H3/t16-,17-,18-,20+,21-/m0/s1
InChIKeyOTUDDHCOXSWENM-RDIJVOARSA-N
MW388.50 g/mol
LogP3.61
Rot. Bonds1

About Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)

Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal) (PubChem CID 10362854) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol.

Molecular Properties

Compound NameGon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)
PubChem CID10362854
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name—
SMILESCC[C@]12CC(=O)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C23H32O5/c1-2-21-14-19(24)20-16-5-7-22(25-9-10-26-22)13-15(16)3-4-17(20)18(21)6-8-23(21)27-11-12-28-23/h3,16-18,20H,2,4-14H2,1H3/t16-,17-,18-,20+,21-/m0/s1
InChIKeyOTUDDHCOXSWENM-RDIJVOARSA-N
XLogP3.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)?
The IUPAC name of Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal) (CID 10362854) is not available.
What is the SMILES notation for Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)?
The canonical SMILES for Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal) is CC[C@]12CC(=O)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1.
What is the InChIKey of Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)?
The InChIKey is OTUDDHCOXSWENM-RDIJVOARSA-N. The full InChI is InChI=1S/C23H32O5/c1-2-21-14-19(24)20-16-5-7-22(25-9-10-26-22)13-15(16)3-4-17(20)18(21)6-8-23(21)27-11-12-28-23/h3,16-18,20H,2,4-14H2,1H3/t16-,17-,18-,20+,21-/m0/s1.
What are the key properties of Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)?
Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal) has a molecular weight of 388.50 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal) is sourced from PubChem (CID 10362854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).