(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione

C23H26O4 — CID 59896837

IUPAC(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione
SMILESCC12C[C@@H]3O[C@@]34[C@@H](C3CC3C3=CC(=O)C=C[C@@]34C)C1CC[C@@]21CCC(=O)O1
InChIInChI=1S/C23H26O4/c1-20-6-3-12(24)9-16(20)13-10-14(13)19-15-4-7-22(8-5-18(25)27-22)21(15,2)11-17-23(19,20)26-17/h3,6,9,13-15,17,19H,4-5,7-8,10-11H2,1-2H3/t13?,14?,15?,17-,19-,20-,21?,22+,23+/m0/s1
InChIKeyBFKIVGKTVYUAMU-XBSGKHRXSA-N
MW366.46 g/mol
LogP3.36
Rot. Bonds

About (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione

(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione (PubChem CID 59896837) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione.

Molecular Properties

Compound Name(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione
PubChem CID59896837
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione
SMILESCC12C[C@@H]3O[C@@]34[C@@H](C3CC3C3=CC(=O)C=C[C@@]34C)C1CC[C@@]21CCC(=O)O1
InChIInChI=1S/C23H26O4/c1-20-6-3-12(24)9-16(20)13-10-14(13)19-15-4-7-22(8-5-18(25)27-22)21(15,2)11-17-23(19,20)26-17/h3,6,9,13-15,17,19H,4-5,7-8,10-11H2,1-2H3/t13?,14?,15?,17-,19-,20-,21?,22+,23+/m0/s1
InChIKeyBFKIVGKTVYUAMU-XBSGKHRXSA-N
XLogP3.36
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione?
The IUPAC name of (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione (CID 59896837) is (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione.
What is the SMILES notation for (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione?
The canonical SMILES for (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione is CC12C[C@@H]3O[C@@]34[C@@H](C3CC3C3=CC(=O)C=C[C@@]34C)C1CC[C@@]21CCC(=O)O1.
What is the InChIKey of (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione?
The InChIKey is BFKIVGKTVYUAMU-XBSGKHRXSA-N. The full InChI is InChI=1S/C23H26O4/c1-20-6-3-12(24)9-16(20)13-10-14(13)19-15-4-7-22(8-5-18(25)27-22)21(15,2)11-17-23(19,20)26-17/h3,6,9,13-15,17,19H,4-5,7-8,10-11H2,1-2H3/t13?,14?,15?,17-,19-,20-,21?,22+,23+/m0/s1.
What are the key properties of (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione?
(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione has a molecular weight of 366.46 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione is sourced from PubChem (CID 59896837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).