(1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene

C19H26O5 — CID 102378954

IUPAC(1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene
SMILESCO[C@H]1O[C@@H]2CCCc3ccccc3CO[C@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C19H26O5/c1-19(2)23-16-15-14(22-18(20-3)17(16)24-19)10-6-9-12-7-4-5-8-13(12)11-21-15/h4-5,7-8,14-18H,6,9-11H2,1-3H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyQKGUFRILTODOQX-ZBRFXRBCSA-N
MW334.41 g/mol
LogP2.80
Rot. Bonds1

About (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene

(1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene (PubChem CID 102378954) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene.

Molecular Properties

Compound Name(1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene
PubChem CID102378954
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name(1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene
SMILESCO[C@H]1O[C@@H]2CCCc3ccccc3CO[C@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C19H26O5/c1-19(2)23-16-15-14(22-18(20-3)17(16)24-19)10-6-9-12-7-4-5-8-13(12)11-21-15/h4-5,7-8,14-18H,6,9-11H2,1-3H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyQKGUFRILTODOQX-ZBRFXRBCSA-N
XLogP2.80
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene?
The IUPAC name of (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene (CID 102378954) is (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene.
What is the SMILES notation for (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene?
The canonical SMILES for (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene is CO[C@H]1O[C@@H]2CCCc3ccccc3CO[C@H]2[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene?
The InChIKey is QKGUFRILTODOQX-ZBRFXRBCSA-N. The full InChI is InChI=1S/C19H26O5/c1-19(2)23-16-15-14(22-18(20-3)17(16)24-19)10-6-9-12-7-4-5-8-13(12)11-21-15/h4-5,7-8,14-18H,6,9-11H2,1-3H3/t14-,15-,16+,17+,18+/m1/s1.
What are the key properties of (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene?
(1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene has a molecular weight of 334.41 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R,15S,16S,20S)-15-methoxy-18,18-dimethyl-2,14,17,19-tetraoxatetracyclo[11.7.0.04,9.016,20]icosa-4,6,8-triene is sourced from PubChem (CID 102378954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).