(1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol

C20H30O5 — CID 54581201

IUPAC(1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol
SMILESC/C1=C\[C@]2(O)OC[C@@]3(C)O[C@]32CC[C@](C)(O)/C=C/C[C@@]2(C)O[C@H]2CC1
InChIInChI=1S/C20H30O5/c1-14-6-7-15-17(3,24-15)9-5-8-16(2,21)10-11-19-18(4,25-19)13-23-20(19,22)12-14/h5,8,12,15,21-22H,6-7,9-11,13H2,1-4H3/b8-5+,14-12+/t15-,16+,17+,18+,19+,20-/m0/s1
InChIKeyGCLSWSUESVZTIE-SBFDNRRKSA-N
MW350.46 g/mol
LogP2.61
Rot. Bonds

About (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol

(1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol (PubChem CID 54581201) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol.

Molecular Properties

Compound Name(1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol
PubChem CID54581201
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name(1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol
SMILESC/C1=C\[C@]2(O)OC[C@@]3(C)O[C@]32CC[C@](C)(O)/C=C/C[C@@]2(C)O[C@H]2CC1
InChIInChI=1S/C20H30O5/c1-14-6-7-15-17(3,24-15)9-5-8-16(2,21)10-11-19-18(4,25-19)13-23-20(19,22)12-14/h5,8,12,15,21-22H,6-7,9-11,13H2,1-4H3/b8-5+,14-12+/t15-,16+,17+,18+,19+,20-/m0/s1
InChIKeyGCLSWSUESVZTIE-SBFDNRRKSA-N
XLogP2.61
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol?
The IUPAC name of (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol (CID 54581201) is (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol.
What is the SMILES notation for (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol?
The canonical SMILES for (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol is C/C1=C\[C@]2(O)OC[C@@]3(C)O[C@]32CC[C@](C)(O)/C=C/C[C@@]2(C)O[C@H]2CC1.
What is the InChIKey of (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol?
The InChIKey is GCLSWSUESVZTIE-SBFDNRRKSA-N. The full InChI is InChI=1S/C20H30O5/c1-14-6-7-15-17(3,24-15)9-5-8-16(2,21)10-11-19-18(4,25-19)13-23-20(19,22)12-14/h5,8,12,15,21-22H,6-7,9-11,13H2,1-4H3/b8-5+,14-12+/t15-,16+,17+,18+,19+,20-/m0/s1.
What are the key properties of (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol?
(1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol has a molecular weight of 350.46 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5E,8R,10S,13E,15S,18R)-4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-5,13-diene-4,15-diol is sourced from PubChem (CID 54581201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).