5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene

C32H32O4 — CID 11225392

IUPAC5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene
SMILESCOc1ccc2c(c1)CCc1ccc(OC)c(c1)-c1cc(ccc1OC)CCc1ccc-2c(OC)c1
InChIInChI=1S/C32H32O4/c1-33-25-12-14-26-24(20-25)11-7-22-10-16-31(35-3)29(18-22)28-17-21(9-15-30(28)34-2)5-6-23-8-13-27(26)32(19-23)36-4/h8-10,12-20H,5-7,11H2,1-4H3
InChIKeyZWPONCWUMUEHKV-UHFFFAOYSA-N
MW480.60 g/mol
LogP6.94
Rot. Bonds4

About 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene

5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene (PubChem CID 11225392) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene.

Molecular Properties

Compound Name5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene
PubChem CID11225392
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Name5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene
SMILESCOc1ccc2c(c1)CCc1ccc(OC)c(c1)-c1cc(ccc1OC)CCc1ccc-2c(OC)c1
InChIInChI=1S/C32H32O4/c1-33-25-12-14-26-24(20-25)11-7-22-10-16-31(35-3)29(18-22)28-17-21(9-15-30(28)34-2)5-6-23-8-13-27(26)32(19-23)36-4/h8-10,12-20H,5-7,11H2,1-4H3
InChIKeyZWPONCWUMUEHKV-UHFFFAOYSA-N
XLogP6.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene?
The IUPAC name of 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene (CID 11225392) is 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene.
What is the SMILES notation for 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene?
The canonical SMILES for 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene is COc1ccc2c(c1)CCc1ccc(OC)c(c1)-c1cc(ccc1OC)CCc1ccc-2c(OC)c1.
What is the InChIKey of 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene?
The InChIKey is ZWPONCWUMUEHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O4/c1-33-25-12-14-26-24(20-25)11-7-22-10-16-31(35-3)29(18-22)28-17-21(9-15-30(28)34-2)5-6-23-8-13-27(26)32(19-23)36-4/h8-10,12-20H,5-7,11H2,1-4H3.
What are the key properties of 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene?
5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene has a molecular weight of 480.60 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13,16,24-tetramethoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),22,25-dodecaene is sourced from PubChem (CID 11225392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).