(14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione

C24H30O3 — CID 90853311

IUPAC(14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione
SMILESCC[C@]12CCC3C4=C(CC(=O)CC4)C4CC4C3C1C1CC1[C@@]21CCC(=O)O1
InChIInChI=1S/C24H30O3/c1-2-23-7-5-14-13-4-3-12(25)9-15(13)16-10-17(16)21(14)22(23)18-11-19(18)24(23)8-6-20(26)27-24/h14,16-19,21-22H,2-11H2,1H3/t14?,16?,17?,18?,19?,21?,22?,23-,24-/m0/s1
InChIKeyFFRAZLCZFAIMLU-GPRLBBPZSA-N
MW366.50 g/mol
LogP4.45
Rot. Bonds1

About (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione

(14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione (PubChem CID 90853311) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione.

Molecular Properties

Compound Name(14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione
PubChem CID90853311
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name(14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione
SMILESCC[C@]12CCC3C4=C(CC(=O)CC4)C4CC4C3C1C1CC1[C@@]21CCC(=O)O1
InChIInChI=1S/C24H30O3/c1-2-23-7-5-14-13-4-3-12(25)9-15(13)16-10-17(16)21(14)22(23)18-11-19(18)24(23)8-6-20(26)27-24/h14,16-19,21-22H,2-11H2,1H3/t14?,16?,17?,18?,19?,21?,22?,23-,24-/m0/s1
InChIKeyFFRAZLCZFAIMLU-GPRLBBPZSA-N
XLogP4.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione with MolForge

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Related Compounds

Drospirenone
CID 68873
Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-
CID 101931
6beta,7beta,15beta,16beta-Dimethylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
CID 12803450
ZK 91587
CID 122017
(1R,2S,4R,10R,11R,14S,15S,16R,18S,19R)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 73265396
20-Spirox-4-ene-3,20-dione
CID 631125
(5S,7'S)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612697
(5S,7'S)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612707
(2R,4R,14S,15S)-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 59612710
(5S,7'S)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612717
(5S,7'S)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612720
(5S,7'S)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612733

Frequently Asked Questions

What is the IUPAC name of (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione?
The IUPAC name of (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione (CID 90853311) is (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione.
What is the SMILES notation for (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione?
The canonical SMILES for (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione is CC[C@]12CCC3C4=C(CC(=O)CC4)C4CC4C3C1C1CC1[C@@]21CCC(=O)O1.
What is the InChIKey of (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione?
The InChIKey is FFRAZLCZFAIMLU-GPRLBBPZSA-N. The full InChI is InChI=1S/C24H30O3/c1-2-23-7-5-14-13-4-3-12(25)9-15(13)16-10-17(16)21(14)22(23)18-11-19(18)24(23)8-6-20(26)27-24/h14,16-19,21-22H,2-11H2,1H3/t14?,16?,17?,18?,19?,21?,22?,23-,24-/m0/s1.
What are the key properties of (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione?
(14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione has a molecular weight of 366.50 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14S,15S)-14-ethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione is sourced from PubChem (CID 90853311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).