8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene

C32H20O2 — CID 59171866

IUPAC8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene
SMILESCOc1ccc2c(c1)c1cccc3c4cc5c6ccc(OC)cc6c6cccc(c4cc2c13)c65
InChIInChI=1S/C32H20O2/c1-33-17-9-11-19-25(13-17)21-5-3-7-23-28-16-30-20-12-10-18(34-2)14-26(20)22-6-4-8-24(32(22)30)27(28)15-29(19)31(21)23/h3-16H,1-2H3
InChIKeyINIJWTHZWRXXNT-UHFFFAOYSA-N
MW436.51 g/mol
LogP8.65
Rot. Bonds2

About 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene

8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene (PubChem CID 59171866) has the molecular formula C32H20O2 and a molecular weight of 436.51 g/mol. Its IUPAC name is 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene.

Molecular Properties

Compound Name8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene
PubChem CID59171866
Molecular FormulaC32H20O2
Molecular Weight436.51 g/mol
Exact Mass436.15
IUPAC Name8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene
SMILESCOc1ccc2c(c1)c1cccc3c4cc5c6ccc(OC)cc6c6cccc(c4cc2c13)c65
InChIInChI=1S/C32H20O2/c1-33-17-9-11-19-25(13-17)21-5-3-7-23-28-16-30-20-12-10-18(34-2)14-26(20)22-6-4-8-24(32(22)30)27(28)15-29(19)31(21)23/h3-16H,1-2H3
InChIKeyINIJWTHZWRXXNT-UHFFFAOYSA-N
XLogP8.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene?
The IUPAC name of 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene (CID 59171866) is 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene.
What is the SMILES notation for 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene?
The canonical SMILES for 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene is COc1ccc2c(c1)c1cccc3c4cc5c6ccc(OC)cc6c6cccc(c4cc2c13)c65.
What is the InChIKey of 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene?
The InChIKey is INIJWTHZWRXXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O2/c1-33-17-9-11-19-25(13-17)21-5-3-7-23-28-16-30-20-12-10-18(34-2)14-26(20)22-6-4-8-24(32(22)30)27(28)15-29(19)31(21)23/h3-16H,1-2H3.
What are the key properties of 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene?
8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene has a molecular weight of 436.51 g/mol, XLogP of 8.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,22-dimethoxyoctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene is sourced from PubChem (CID 59171866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).