16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene

C36H28O2 — CID 71601456

IUPAC16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene
SMILESCOc1cc2cc(OC)c3c(c2c2c1CCc1ccc4ccccc4c1-2)-c1c(ccc2ccccc12)CC3
InChIInChI=1S/C36H28O2/c1-37-30-19-25-20-31(38-2)29-18-16-24-14-12-22-8-4-6-10-27(22)33(24)36(29)34(25)35-28(30)17-15-23-13-11-21-7-3-5-9-26(21)32(23)35/h3-14,19-20H,15-18H2,1-2H3
InChIKeyFDFVIVNOHDQPOJ-UHFFFAOYSA-N
MW492.62 g/mol
LogP8.69
Rot. Bonds2

About 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene

16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene (PubChem CID 71601456) has the molecular formula C36H28O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene.

Molecular Properties

Compound Name16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene
PubChem CID71601456
Molecular FormulaC36H28O2
Molecular Weight492.62 g/mol
Exact Mass492.21
IUPAC Name16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene
SMILESCOc1cc2cc(OC)c3c(c2c2c1CCc1ccc4ccccc4c1-2)-c1c(ccc2ccccc12)CC3
InChIInChI=1S/C36H28O2/c1-37-30-19-25-20-31(38-2)29-18-16-24-14-12-22-8-4-6-10-27(22)33(24)36(29)34(25)35-28(30)17-15-23-13-11-21-7-3-5-9-26(21)32(23)35/h3-14,19-20H,15-18H2,1-2H3
InChIKeyFDFVIVNOHDQPOJ-UHFFFAOYSA-N
XLogP8.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene?
The IUPAC name of 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene (CID 71601456) is 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene.
What is the SMILES notation for 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene?
The canonical SMILES for 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene is COc1cc2cc(OC)c3c(c2c2c1CCc1ccc4ccccc4c1-2)-c1c(ccc2ccccc12)CC3.
What is the InChIKey of 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene?
The InChIKey is FDFVIVNOHDQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O2/c1-37-30-19-25-20-31(38-2)29-18-16-24-14-12-22-8-4-6-10-27(22)33(24)36(29)34(25)35-28(30)17-15-23-13-11-21-7-3-5-9-26(21)32(23)35/h3-14,19-20H,15-18H2,1-2H3.
What are the key properties of 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene?
16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene has a molecular weight of 492.62 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,20-dimethoxyoctacyclo[16.16.0.02,15.03,12.04,9.021,34.024,33.027,32]tetratriaconta-1(34),2(15),3(12),4,6,8,10,16,18,20,24(33),25,27,29,31-pentadecaene is sourced from PubChem (CID 71601456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).