(2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione

C24H34O3 — CID 143291113

IUPAC(2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione
SMILESCC1=C2CCC3CC4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
InChIInChI=1S/C24H34O3/c1-15-18-5-4-16-14-17-6-12-24(13-9-21(26)27-24)23(17,3)11-7-19(16)22(18,2)10-8-20(15)25/h16-17,19H,4-14H2,1-3H3/t16?,17?,19?,22-,23-,24+/m0/s1
InChIKeyPZJPQXGUPBJWCA-ACDUEVOPSA-N
MW370.53 g/mol
LogP5.37
Rot. Bonds

About (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione

(2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione (PubChem CID 143291113) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione.

Molecular Properties

Compound Name(2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione
PubChem CID143291113
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name(2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione
SMILESCC1=C2CCC3CC4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
InChIInChI=1S/C24H34O3/c1-15-18-5-4-16-14-17-6-12-24(13-9-21(26)27-24)23(17,3)11-7-19(16)22(18,2)10-8-20(15)25/h16-17,19H,4-14H2,1-3H3/t16?,17?,19?,22-,23-,24+/m0/s1
InChIKeyPZJPQXGUPBJWCA-ACDUEVOPSA-N
XLogP5.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione?
The IUPAC name of (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione (CID 143291113) is (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione.
What is the SMILES notation for (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione?
The canonical SMILES for (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione is CC1=C2CCC3CC4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O.
What is the InChIKey of (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione?
The InChIKey is PZJPQXGUPBJWCA-ACDUEVOPSA-N. The full InChI is InChI=1S/C24H34O3/c1-15-18-5-4-16-14-17-6-12-24(13-9-21(26)27-24)23(17,3)11-7-19(16)22(18,2)10-8-20(15)25/h16-17,19H,4-14H2,1-3H3/t16?,17?,19?,22-,23-,24+/m0/s1.
What are the key properties of (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione?
(2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione has a molecular weight of 370.53 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,5R,16'S)-2',6',16'-trimethylspiro[oxolane-5,15'-tetracyclo[8.8.0.02,7.012,16]octadec-6-ene]-2,5'-dione is sourced from PubChem (CID 143291113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).