(5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene

C20H26O4 — CID 102279087

IUPAC(5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene
SMILESC[C@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@@H](C)CO[C@]1(C)O4
InChIInChI=1S/C20H26O4/c1-11-9-21-19(3)15(11)6-13-5-14-7-16-12(2)10-22-20(16,4)24-18(14)8-17(13)23-19/h5,8,11-12,15-16H,6-7,9-10H2,1-4H3/t11-,12-,15+,16+,19+,20+/m0/s1
InChIKeyGKWTWWJVLKOABN-XZRFTHSASA-N
MW330.42 g/mol
LogP3.55
Rot. Bonds

About (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene

(5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene (PubChem CID 102279087) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene.

Molecular Properties

Compound Name(5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene
PubChem CID102279087
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene
SMILESC[C@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@@H](C)CO[C@]1(C)O4
InChIInChI=1S/C20H26O4/c1-11-9-21-19(3)15(11)6-13-5-14-7-16-12(2)10-22-20(16,4)24-18(14)8-17(13)23-19/h5,8,11-12,15-16H,6-7,9-10H2,1-4H3/t11-,12-,15+,16+,19+,20+/m0/s1
InChIKeyGKWTWWJVLKOABN-XZRFTHSASA-N
XLogP3.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene?
The IUPAC name of (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene (CID 102279087) is (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene.
What is the SMILES notation for (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene?
The canonical SMILES for (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene is C[C@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@@H](C)CO[C@]1(C)O4.
What is the InChIKey of (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene?
The InChIKey is GKWTWWJVLKOABN-XZRFTHSASA-N. The full InChI is InChI=1S/C20H26O4/c1-11-9-21-19(3)15(11)6-13-5-14-7-16-12(2)10-22-20(16,4)24-18(14)8-17(13)23-19/h5,8,11-12,15-16H,6-7,9-10H2,1-4H3/t11-,12-,15+,16+,19+,20+/m0/s1.
What are the key properties of (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene?
(5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene has a molecular weight of 330.42 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R,9R,15R,16R,19R)-5,8,16,19-tetramethyl-4,6,18,20-tetraoxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,11-triene is sourced from PubChem (CID 102279087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).